2-Heptadecyl-1-(phenylmethyl)-1H-benzimidazole
Basic information
- CAS
92597-98-3- Standard SMILES
CCCCCCCCCCCCCCCCCc1nc2ccccc2n1Cc1ccccc1- InChIKey
PHTXBNIMGMVGRA-UHFFFAOYSA-N- Molecular formula
- C31H46N2
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.36609948
Names & identifiers
- Preferred name
- 2-Heptadecyl-1-(phenylmethyl)-1H-benzimidazole
- IUPAC
- 1-benzyl-2-heptadecylbenzimidazole
Names & synonyms
SCHEMBL4952279PHTXBNIMGMVGRA-UHFFFAOYSA-NDTXSID0013545512-Heptadecyl-1-(phenylmethyl)-1H-benzimidazole92597-98-3
Database identifiers
- CAS
92597-98-3- PubChem CID
- 21452037
- DTXSID
DTXSID001354551
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 458
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Compound notes
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