Basic information
- CAS
67273-41-0- Standard SMILES
Cc1ccc(-c2nc3ccccc3[nH]2)cn1- InChIKey
SCFVRBDHVFEHCW-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 2-(6-methylpyridin-3-yl)-1H-benzimidazole
- IUPAC
- 2-(6-methyl-3-pyridinyl)-1H-benzimidazole
Names & synonyms
2-(6-methylpyridin-3-yl)-1H-benzimidazole67273-41-0DTXSID70353813RefChem:253021DTXCID803048761H-Benzimidazole, 2-(6-methyl-3-pyridinyl)-2-(6-Methyl-pyridin-3-yl)-1H-benzoimidazoleCambridge id 5276976CBDivE_015413MLS001204901SCHEMBL3335441CHEMBL1589334
Show more names
SCFVRBDHVFEHCW-UHFFFAOYSA-NHMS2814I09AKOS0010169562-(2-methylpyridin-5-yl)benzimidazole2-(2-methylpyridin-5-yl) benzimidazoleSMR0005048792-(6-Methylpyridin-3-yl)-1H-1,3-benzimidazoleZ56755610
Database identifiers
- CAS
67273-41-0- PubChem CID
- 754376
- DTXSID
DTXSID70353813- ChEMBL
CHEMBL1589334- Nikkaji
- J902.109D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
Solubility29.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
Loading…