Benzimidazole, 2-(hept-4-yl)-
Basic information
- CAS
67884-02-0- Standard SMILES
CCCC(CCC)c1nc2ccccc2[nH]1- InChIKey
INLLIOFNGWQZIH-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- Benzimidazole, 2-(hept-4-yl)-
- IUPAC
- 2-heptan-4-yl-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 2-(HEPT-4-YL)-2-(Hept-4-yl)benzimidazoleBRN 091242867884-02-0DTXSID302181115-23-07-00097 (Beilstein Handbook Reference)RefChem:325869DTXCID50140602SCHEMBL67591852-(Heptan-4-yl)-1H-1,3-benzimidazole
Database identifiers
- CAS
67884-02-0- PubChem CID
- 49995
- DTXSID
DTXSID30218111- Nikkaji
- J69.218B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
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Compound notes
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