Basic information
- CAS
129157-72-8- Standard SMILES
Cc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]1- InChIKey
WITMFKCDJGLRRA-UHFFFAOYSA-N- Molecular formula
- C16H13N3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.11094743
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(2-methyl-1H-indol-3-yl)-
- IUPAC
- 2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
Names & synonyms
129157-72-81H-Benzimidazole, 2-(2-methyl-1H-indol-3-yl)-DTXSID50354666RefChem:237501DTXCID20305726MLS000097836CHEMBL1502059WITMFKCDJGLRRA-UHFFFAOYSA-NHMS2338A07AKOS000520539SMR0000915271H-Benzoimidazole, 2-(2-methyl-1H-indol-3-yl)-
Show more names
2-(2-Methyl-1H-indol-3-yl)-1H-1,3-benzimidazole
Database identifiers
- CAS
129157-72-8- PubChem CID
- 778447
- DTXSID
DTXSID50354666- ChEMBL
CHEMBL1502059
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…