AG00I9LK

53786-10-0 | 1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one

AG00I9LK

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CAS Number	53786-10-0
Catalog Number	AG00I9LK(AGN-PC-0030PE)
Chemical Name	1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
IUPAC Name	1-methyl-3-piperidin-4-ylbenzimidazol-2-one
InChI	InChI=1S/C13H17N3O/c1-15-11-4-2-3-5-12(11)16(13(15)17)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
InChI Key	VEWTUUDVRSEVLC-UHFFFAOYSA-N
MDL Number	MFCD02179381
Molecular Formula	C13H17N3O
Molecular Weight	231.2936
SMILES	CN1C(N(C2=C1C=CC=C2)C2CCNCC2)=O
Synonyms	53786-10-0, 4-(2-KETO-3-METHYL-1-BENZIMIDAZOLINYL)PIPERIDINE, 1-Methyl-3-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, 4-(2-KETO-3-METHYL-1-BENZIMIDAZOLINY)PIPERIDINE, AK-29352, 2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-(4-piperidinyl)-, 1-methyl-3-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one, 1,3-dihydro-1-methyl-3-(4-piperidinyl)-2h-benzimidazol-2-one, 1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, MFCD02179381, 1-methyl-3-piperidin-4-ylbenzimidazol-2-one, SCHEMBL2986176, 2-BENZIMIDAZOLINONE, 1-METHYL-3-(4-PIPERIDYL), CTK4J8788, KS-00000GXT, DTXSID40565507, VEWTUUDVRSEVLC-UHFFFAOYSA-N, ZINC2391890, ANW-51365, AKOS015850664, CM-1833, FS-2943, RP27966, VP80158, AJ-35792, AN-40736, BR-29352, SC-17225, AB0025360, AX8014840, ST2410960, TC-063873, 1-methyl-3-(4-piperidyl)benzimidazol-2-one, 4CH-007637, AM20040661, FT-0640190, W6809, S-5249, 786K100, C-13494, J-513313, 1-methyl-3-(piperidin-4-yl)-1,3-benzodiazol-2-one, 2-BENZIMIDAZOLINONE,1-METHYL-3-(4-PIPERIDYL), 1-methyl-3-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one, 1-methyl-3-piperidin-4-yl-1,3-dihydro-2H-benzimidazol-2-one, 2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-(4-piperidinyl)-, 1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one, 4- piperidine, C13H17N3O, ACN-052882, 1-methyl-3-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, 95% - 1G 1g,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.137g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.299g/mol
Monoisotopic Mass	231.137g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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