benzimidazol-1-yl-(3,4-dimethylphenyl)methanone

C16H14N2O — CID 741948

IUPACbenzimidazol-1-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)n2cnc3ccccc32)cc1C
InChIInChI=1S/C16H14N2O/c1-11-7-8-13(9-12(11)2)16(19)18-10-17-14-5-3-4-6-15(14)18/h3-10H,1-2H3
InChIKeyQOVGDZNYVQVROH-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.34
Rot. Bonds1

About benzimidazol-1-yl-(3,4-dimethylphenyl)methanone

benzimidazol-1-yl-(3,4-dimethylphenyl)methanone (PubChem CID 741948) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is benzimidazol-1-yl-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl-(3,4-dimethylphenyl)methanone
PubChem CID741948
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Namebenzimidazol-1-yl-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)n2cnc3ccccc32)cc1C
InChIInChI=1S/C16H14N2O/c1-11-7-8-13(9-12(11)2)16(19)18-10-17-14-5-3-4-6-15(14)18/h3-10H,1-2H3
InChIKeyQOVGDZNYVQVROH-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one
CID 90247
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
N-(1-methylbenzimidazol-2-yl)benzamide
CID 780674
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
Takinib
CID 37750349
4-(1H-1,3-benzodiazol-1-yl)benzaldehyde
CID 737733
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
1-Phenylbenzimidazole deriv. 72
CID 5328471
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-phenylbenzamide
CID 25190507
(S)-1,3''-bipyrrolidin-1''-yl(4-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 25031073
6-(Benzimidazol-1-yl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 25217064
(S)-1,3''-bipyrrolidin-1''-yl(4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 46230602

Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl-(3,4-dimethylphenyl)methanone?
The IUPAC name of benzimidazol-1-yl-(3,4-dimethylphenyl)methanone (CID 741948) is benzimidazol-1-yl-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for benzimidazol-1-yl-(3,4-dimethylphenyl)methanone?
The canonical SMILES for benzimidazol-1-yl-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)n2cnc3ccccc32)cc1C.
What is the InChIKey of benzimidazol-1-yl-(3,4-dimethylphenyl)methanone?
The InChIKey is QOVGDZNYVQVROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-8-13(9-12(11)2)16(19)18-10-17-14-5-3-4-6-15(14)18/h3-10H,1-2H3.
What are the key properties of benzimidazol-1-yl-(3,4-dimethylphenyl)methanone?
benzimidazol-1-yl-(3,4-dimethylphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 741948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).