| CAS Number | 1504588-00-4 |
| Catalog Number | AG01BCUY |
| Chemical Name | N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide |
| InChI | InChI=1S/C23H20ClN3O/c1-15-7-8-16(2)22(11-15)27-14-26-20-12-17(9-10-21(20)27)23(28)25-13-18-5-3-4-6-19(18)24/h3-12,14H,13H2,1-2H3,(H,25,28) |
| InChI Key | CZSLEMCYYGEGKP-UHFFFAOYSA-N |
| MDL Number | MFCD28976190 |
| Molecular Formula | C23H20ClN3O |
| Molecular Weight | 389.8774 |
| SMILES | ClC1=C(CNC(C2=CC=C(N(C3=C(C)C=CC(C)=C3)C=N4)C4=C2)=O)C=CC=C1 |
| Synonyms | 1504588-00-4,
NAB 2,
SCHEMBL16082488,
CHEBI:82656,
ZINC95619249,
AKOS022191372,
NCGC00387235-01,
N-(2-chlorobenzyl)-1-(2,5-dimethylphenyl)-1H-benzimidazole-5-carboxamide,
N-(2-chlorobenzyl)-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide,
N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide,
N-[(2-Chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-1H-benzimidazole-5-carboxamide,
CZSLEMCYYGEGKP-UHFFFAOYSA-N,
|
| Complexity | 544 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.883g/mol |
| Monoisotopic Mass | 389.129g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number