benzimidazol-1-yl-(4-methylphenyl)methanone

C15H12N2O — CID 710618

IUPACbenzimidazol-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyYLZMOQYZJDTTSR-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.03
Rot. Bonds1

About benzimidazol-1-yl-(4-methylphenyl)methanone

benzimidazol-1-yl-(4-methylphenyl)methanone (PubChem CID 710618) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is benzimidazol-1-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl-(4-methylphenyl)methanone
PubChem CID710618
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Namebenzimidazol-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyYLZMOQYZJDTTSR-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzimidazol-1-yl-(3,4-dimethylphenyl)methanone
CID 741948
benzimidazol-1-yl-[4-(16-methylheptadecoxy)phenyl]methanone
CID 70380679
(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone
CID 110468877
(E)-3-(benzimidazol-1-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 13164566
N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide
CID 154114456
indol-1-yl-(4-methylphenyl)methanone
CID 10955526
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
benzimidazol-1-yl-(3-bromo-4-butoxyphenyl)methanone
CID 4955702
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
benzimidazol-1-yl(1,3-thiazol-4-yl)methanone
CID 110462180
benzimidazol-1-yl(1H-imidazol-2-yl)methanone
CID 110466447
(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
CID 82344378

Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl-(4-methylphenyl)methanone?
The IUPAC name of benzimidazol-1-yl-(4-methylphenyl)methanone (CID 710618) is benzimidazol-1-yl-(4-methylphenyl)methanone.
What is the SMILES notation for benzimidazol-1-yl-(4-methylphenyl)methanone?
The canonical SMILES for benzimidazol-1-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of benzimidazol-1-yl-(4-methylphenyl)methanone?
The InChIKey is YLZMOQYZJDTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of benzimidazol-1-yl-(4-methylphenyl)methanone?
benzimidazol-1-yl-(4-methylphenyl)methanone has a molecular weight of 236.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 710618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).