Basic information
- Standard SMILES
CC1(C)C(CC(=O)O)CC1c1ccc2cc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)ccc2n1- InChIKey
MMANKFKBTGWHHJ-UHFFFAOYSA-N- Molecular formula
- C31H33N3O4
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.24710654
Names & identifiers
- Preferred name
- 2-[2-[3-(Carboxymethyl)-2,2-dimethyl-cyclobutyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
- IUPAC
- 2-[2-[3-(carboxymethyl)-2,2-dimethylcyclobutyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
Names & synonyms
SCHEMBL4130716MMANKFKBTGWHHJ-UHFFFAOYSA-N1H-Benzimidazole-5-carboxylic acid, 2-[2-[3-(carboxymethyl)-2,2-dimethylcyclobutyl]-6-quinolinyl]-1-cyclohexyl-2-[2-(3-carboxymethyl-2,2-dimethyl-cyclobutyl)-quinolin-6-yl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic Acid2-[2-[3-(carboxymethyl)-2,2-dimethyl-cyclobutyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 5276121
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 888
Related reactions
2 records
Compound notes
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