2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone

C16H15N3O — CID 79754091

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C16H15N3O/c1-11-6-5-8-13(17-11)15(20)10-16-18-12-7-3-4-9-14(12)19(16)2/h3-9H,10H2,1-2H3
InChIKeyCZXUMKUAHCFMHI-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.70
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone

2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 79754091) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID79754091
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C16H15N3O/c1-11-6-5-8-13(17-11)15(20)10-16-18-12-7-3-4-9-14(12)19(16)2/h3-9H,10H2,1-2H3
InChIKeyCZXUMKUAHCFMHI-UHFFFAOYSA-N
XLogP2.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
CID 146938095
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone (CID 79754091) is 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(C(=O)Cc2nc3ccccc3n2C)n1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is CZXUMKUAHCFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-5-8-13(17-11)15(20)10-16-18-12-7-3-4-9-14(12)19(16)2/h3-9H,10H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 265.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 79754091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).