1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone

C17H16N2O — CID 11715904

IUPAC1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)11-19-16-6-4-3-5-15(16)18-17(19)13(2)20/h3-10H,11H2,1-2H3
InChIKeyQRJOBZYYRQIVRH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone

1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone (PubChem CID 11715904) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
PubChem CID11715904
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)11-19-16-6-4-3-5-15(16)18-17(19)13(2)20/h3-10H,11H2,1-2H3
InChIKeyQRJOBZYYRQIVRH-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 1206183
N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
CID 2986832
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone (CID 11715904) is 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone is CC(=O)c1nc2ccccc2n1Cc1ccc(C)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone?
The InChIKey is QRJOBZYYRQIVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)11-19-16-6-4-3-5-15(16)18-17(19)13(2)20/h3-10H,11H2,1-2H3.
What are the key properties of 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone?
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone is sourced from PubChem (CID 11715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).