N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
Basic information
- CAS
5648-61-3- Standard SMILES
CC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl- InChIKey
ULQZYDDZLCABPO-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0825398
Names & identifiers
- Preferred name
- N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
- IUPAC
- N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
Names & synonyms
n-[1-(2-chlorobenzyl)-1h-benzimidazol-2-yl]acetamideN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide5648-61-3MLS-0303650.0001ChemDiv1_004571Cambridge id 5648613Oprea1_647007MLS001042201cid_872991CHEMBL1387232BDBM62363HMS599P17
Show more names
DTXSID30971895HMS2796G09CCG-16982STL149503AKOS001619818AKOS005749797SMR000425172AB00091667-01
Database identifiers
- CAS
5648-61-3- PubChem CID
- 872991
- DTXSID
DTXSID30971895- ChEMBL
CHEMBL1387232
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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