Basic information
- CAS
208118-15-4- Standard SMILES
Nc1ccc(Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1- InChIKey
LUSMSAJRZGXJCJ-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid
- IUPAC
- 2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid
Names & synonyms
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acidChemDiv2_0015292-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acidDTXSID301186151HMS1373F11CCG-24523AKOS001693671208118-15-4ST50023903
Database identifiers
- CAS
208118-15-4- PubChem CID
- 757161
- DTXSID
DTXSID301186151
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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