1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one

C16H15N3O — CID 79753774

IUPAC1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
SMILESCn1c(CC(=O)Cc2ccccn2)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-15-8-3-2-7-14(15)18-16(19)11-13(20)10-12-6-4-5-9-17-12/h2-9H,10-11H2,1H3
InChIKeyZQOYTZGMUFFAKJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.32
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one

1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one (PubChem CID 79753774) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
PubChem CID79753774
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
SMILESCn1c(CC(=O)Cc2ccccn2)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-15-8-3-2-7-14(15)18-16(19)11-13(20)10-12-6-4-5-9-17-12/h2-9H,10-11H2,1H3
InChIKeyZQOYTZGMUFFAKJ-UHFFFAOYSA-N
XLogP2.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 116575680
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one (CID 79753774) is 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one is Cn1c(CC(=O)Cc2ccccn2)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one?
The InChIKey is ZQOYTZGMUFFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-15-8-3-2-7-14(15)18-16(19)11-13(20)10-12-6-4-5-9-17-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one?
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 79753774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).