Basic information
- Standard SMILES
CCC(C)(C)c1nc2cc(C(=O)O)ccc2n1CC1CCCCC1- InChIKey
NLZILHLYEXGNHL-UHFFFAOYSA-N- Molecular formula
- C20H28N2O2
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 1-(cyclohexylmethyl)-2-(1,1-dimethylpropyl)-1H-benzimidazole-5-carboxylic acid
- IUPAC
- 1-(cyclohexylmethyl)-2-(2-methylbutan-2-yl)benzimidazole-5-carboxylic acid
Names & synonyms
SCHEMBL4465784NLZILHLYEXGNHL-UHFFFAOYSA-N1-(cyclohexylmethyl)-2-(1,1-dimethylpropyl)-1H-benzimidazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 57636258
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
7 records
Compound notes
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