| CAS Number | 1381846-21-4 |
| Catalog Number | AG01EPES(AGN-PC-0WNWIV) |
| Chemical Name | 2-chloro-5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-N-1H-imidazol-2-yl-benzamide |
| IUPAC Name | 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide |
| InChI | InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22) |
| InChI Key | MBAHGUNQNAJTLD-UHFFFAOYSA-N |
| MDL Number | MFCD25976583 |
| Molecular Formula | C16H19ClN4O2 |
| Molecular Weight | 334.8007 |
| SMILES | ClC1=CC=C(CNC(C(C)(C)C)=O)C=C1C(NC2=NC=CN2)=O |
| Synonyms | CHEMBL2152712,
1381846-21-4,
2-Chloro-5-{[(2,2-Dimethylpropanoyl)amino]methyl}-N-(1h-Imidazol-2-Yl)benzamide,
MBAHGUNQNAJTLD-UHFFFAOYSA-N,
SCHEMBL9931208,
BDBM50393042,
ZINC95578298,
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide,
2-chloro-5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-N-1H-imidazol-2-yl-benzamide,
BenzaMide,2-chloro-5-[[(2,2-diMethyl-1-oxopropyl)aMino]Methyl]-N-1H-iMidazol-2-yl-,
BenzaMide, 2-chloro-5-[[(2,2-diMethyl-1-oxopropyl)aMino]Methyl]-N-1H-iMidazol-2-yl-,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.804g/mol |
| Monoisotopic Mass | 334.12g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number