AG00BYHA

405554-55-4 | 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime

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CAS Number	405554-55-4
Catalog Number	AG00BYHA(AGN-PC-0RO9XW)
Chemical Name	5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
IUPAC Name	(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
InChI	InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+
InChI Key	MLSAQOINCGAULQ-QFMPWRQOSA-N
MDL Number	MFCD16038645
Molecular Formula	C27H27N5O2
Molecular Weight	453.5356
SMILES	CN(CCOC1=CC=C(C2=NC(C3=CC4=C(/C(CC4)=N/O)C=C3)=C(C5=CC=NC=C5)N2)C=C1)C
Synonyms	SB-590885, 405554-55-4, SB590885, SB 590885, SB-590885, J-501805, (E)--(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, cc-3, SCHEMBL131578, CHEMBL477989, SCHEMBL12518520, SCHEMBL16111665, SCHEMBL17378611, EX-A612, CHEBI:131881, BCPP000070, (E)-5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, RS0086, s2220, ZINC100061199, SB19422, (E)-SB590885, AS-16232, SC-85743, (E)-SB 590885, (E)-SB-590885, BRD-K78809024-001-05-7, 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyri, SB 590885 , SB-590885 , 405554-55-4, (1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine, (E)-N,N-dimethyl-2-(4-(4-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-5-(pyridin-4(1H)-ylidene)-4,5-dihydro-1H-imidazol-2-yl)phenoxy)ethan-1-amine, [2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydroinden-5-yl]-5-(pyridin-4-yl)-3H-imidazol-2-yl}phenoxy)ethyl]dimethylamine, 5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, UNII-ISE5ATW631, GSK2118436, DPCXEUSDRQOOGZ-YYADALCUSA-N, ACN-036839, CID11316960, CID11465183, CID 11316960, B1406, SB590885(GSK2118436), A10829, 1H-Inden-1-one, 5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(4-pyridinyl)-1H-imidazol-4-yl)-2,3-dihydro-, oxime,

Complexity	674
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	453.216g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	453.546g/mol
Monoisotopic Mass	453.216g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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