2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone

C15H13N3O — CID 57097351

IUPAC2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone
SMILESCc1nccc2c1ncn2CC(=O)c1ccccc1
InChIInChI=1S/C15H13N3O/c1-11-15-13(7-8-16-11)18(10-17-15)9-14(19)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyYRZSLHZSBBKXKR-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.62
Rot. Bonds3

About 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone

2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone (PubChem CID 57097351) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone
PubChem CID57097351
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone
SMILESCc1nccc2c1ncn2CC(=O)c1ccccc1
InChIInChI=1S/C15H13N3O/c1-11-15-13(7-8-16-11)18(10-17-15)9-14(19)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyYRZSLHZSBBKXKR-UHFFFAOYSA-N
XLogP2.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
2-(2-benzoylimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 11266682
2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105098775
5-bromo-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66311109
1-phenyl-2-(3,4,5-trimethylimidazol-3-ium-1-yl)ethanone chloride
CID 87585016
1-phenyl-2-(1,2,4-triazol-4-yl)ethanone
CID 15459293
trimethyl(phenacyl)azanium chloride
CID 10443212
3-[2-(benzimidazol-1-yl)acetyl]benzenesulfonamide
CID 127047625
1-phenyl-2-(2-sulfanylidenepyrazin-1-yl)ethanone
CID 139735976
2-(2-amino-3-methylimidazol-3-ium-1-yl)-1-phenylethanone chloride
CID 87585051
6-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 23408920
3-phenacyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 735220

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone (CID 57097351) is 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone is Cc1nccc2c1ncn2CC(=O)c1ccccc1.
What is the InChIKey of 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone?
The InChIKey is YRZSLHZSBBKXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-15-13(7-8-16-11)18(10-17-15)9-14(19)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone?
2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone has a molecular weight of 251.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazo[4,5-c]pyridin-1-yl)-1-phenylethanone is sourced from PubChem (CID 57097351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).