Basic information
- Standard SMILES
c1ccc(-c2nc3c([nH]2)CCCC3)cc1- InChIKey
BACJJTXQMLXPKM-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
Names & identifiers
- Preferred name
- 2-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole
- IUPAC
- 2-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole
Names & synonyms
2-phenyl-4,5,6,7-tetrahydro-1H-benzimidazoleSCHEMBL6861541BACJJTXQMLXPKM-UHFFFAOYSA-NAKOS0223433612-phenyl-4,5,6,7,-tetrahydrobenzimidazole2-Phenyl-4,5,6,7-tetrahydro-1H-benzo[d]imidazoleF2196-012426663-56-9
Database identifiers
- PubChem CID
- 3852296
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
6 records
Compound notes
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