| CAS Number | 915924-55-9 |
| Catalog Number | AG006SVO(AGN-PC-0WB4F8) |
| Chemical Name | 2-(1H-Benzimidazol-1-ylcarbonyl)aniline |
| IUPAC Name | (2-aminophenyl)-(benzimidazol-1-yl)methanone |
| InChI | InChI=1S/C14H11N3O/c15-11-6-2-1-5-10(11)14(18)17-9-16-12-7-3-4-8-13(12)17/h1-9H,15H2 |
| InChI Key | BPVGCUBQNYLDNA-UHFFFAOYSA-N |
| MDL Number | MFCD08691748 |
| Molecular Formula | C14H11N3O |
| Molecular Weight | 237.2566 |
| SMILES | N1(C2=CC=CC=C2N=C1)C(=O)C1=CC=CC=C1N |
| Synonyms | 2-(1H-BENZIMIDAZOL-1-YLCARBONYL)ANILINE,
915924-55-9,
CTK5H0155,
DTXSID30651064,
CHEMBRDG-BB 5937084,
ZX-CM016312,
MFCD08691748,
ZINC19093828,
AKOS022184512,
AJ-72241,
Y-4409,
(2-Aminophenyl)(1H-benzimidazol-1-yl)methanone,
(2-Aminophenyl)(1H-benzo[d]imidazol-1-yl)methanone,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.262g/mol |
| Monoisotopic Mass | 237.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number