1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone

C17H16N4O — CID 91651100

IUPAC1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1
InChIInChI=1S/C17H16N4O/c1-13(22)14-6-7-17(19-10-14)20-11-15-4-2-3-5-16(15)21-9-8-18-12-21/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyDDUVVNLGRJBUHY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.08
Rot. Bonds5

About 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone

1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone (PubChem CID 91651100) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone
PubChem CID91651100
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1
InChIInChI=1S/C17H16N4O/c1-13(22)14-6-7-17(19-10-14)20-11-15-4-2-3-5-16(15)21-9-8-18-12-21/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyDDUVVNLGRJBUHY-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155703
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
1-[6-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methylamino]-3-pyridinyl]ethanone
CID 102563271
1-[6-[[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methylamino]-3-pyridinyl]ethanone
CID 99798306
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46772327
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111505245
methyl N-[4-[[(2-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86838396
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone (CID 91651100) is 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone is CC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1.
What is the InChIKey of 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone?
The InChIKey is DDUVVNLGRJBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13(22)14-6-7-17(19-10-14)20-11-15-4-2-3-5-16(15)21-9-8-18-12-21/h2-10,12H,11H2,1H3,(H,19,20).
What are the key properties of 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone?
1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone is sourced from PubChem (CID 91651100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).