Basic information
- CAS
41278-00-6- Standard SMILES
Cc1[nH]c2ccccc2c1Cc1nc2ccccc2[nH]1- InChIKey
BBGKKWJDHOAKFM-UHFFFAOYSA-N- Molecular formula
- C17H15N3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.12659749
Names & identifiers
- Preferred name
- 2-[(2-methyl-1H-indol-3-yl)methyl]-1H-benzimidazole
- IUPAC
- 2-[(2-methyl-1H-indol-3-yl)methyl]-1H-benzimidazole
- English name
- 2-(2-methyl-indol-3-ylmethyl)-1H-benzoimidazole
- Molecular formula
- C17H15N3
- Molecular weight
- 261.32
Names & synonyms
41278-00-62-[(2-methyl-1H-indol-3-yl)methyl]-1H-benzimidazole2-((2-Methyl-1H-indol-3-yl)methyl)-1H-benzo[d]imidazoleCHEMBL23969932-(2-Methyl-1H-indol-3-ylmethyl)-1H-benzoimidazoleChemDiv3_005644SCHEMBL23613403BBGKKWJDHOAKFM-UHFFFAOYSA-NHMS1489A12BDBM50088364STK327261AKOS000640788
Show more names
2-(2-methyl-indol-3-ylmethyl)-1H-benzoimidazole1H-Benzimidazole, 2-[(2-methyl-1H-indol-3-yl)methyl]-
IDI1_023554DA-28585ST091099CS-03323772-[(2-methylindol-3-yl)methyl]benzimidazoleAR-422/419792261H-Benzoimidazole, 2-(2-methyl-1H-indol-3-ylmethyl)-2-[(2-METHYL-1H-INDOL-3-YL)METHYL]-1H-1,3-BENZODIAZOLE
Database identifiers
- CAS
41278-00-6- PubChem CID
- 718826
- ChEMBL
CHEMBL2396993
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 583.3 · 583.3±38.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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