Basic information
- CAS
32273-68-0- Standard SMILES
Cc1nc2ccccc2n1Cc1c[nH]c2ccccc12- InChIKey
QVIRCHFHLWIZDH-UHFFFAOYSA-N- Molecular formula
- C17H15N3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.12659749
Names & identifiers
- Preferred name
- Benzimidazole, 1-(indol-3-ylmethyl)-2-methyl-
- IUPAC
- 1-(1H-indol-3-ylmethyl)-2-methylbenzimidazole
Names & synonyms
Benzimidazole, 1-(indol-3-ylmethyl)-2-methyl-32273-68-01-(Indol-3-ylmethyl)-2-methylbenzimidazoleDTXSID701860221-[(1H-Indol-3-yl)methyl]-2-methyl-1H-1,3-benzimidazole
Database identifiers
- CAS
32273-68-0- PubChem CID
- 147408
- DTXSID
DTXSID70186022
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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