2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride

C16H17ClN2O — CID 173113975

IUPAC2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
SMILESCN1CN(CC(=O)c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-17-12-18(15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3;1H
InChIKeyJJSWBZKYQKCGFV-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride

2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride (PubChem CID 173113975) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
PubChem CID173113975
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
SMILESCN1CN(CC(=O)c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-17-12-18(15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3;1H
InChIKeyJJSWBZKYQKCGFV-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride?
The IUPAC name of 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride (CID 173113975) is 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride is CN1CN(CC(=O)c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride?
The InChIKey is JJSWBZKYQKCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c1-17-12-18(15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3;1H.
What are the key properties of 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride?
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride is sourced from PubChem (CID 173113975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).