2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone

C16H13N3O — CID 14988698

IUPAC2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
SMILESO=C(Cn1ccnc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C16H13N3O/c20-16(11-19-10-9-18-12-19)15-3-1-13(2-4-15)14-5-7-17-8-6-14/h1-10,12H,11H2
InChIKeyGSWTWDDVJDPFLY-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.83
Rot. Bonds4

About 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone

2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone (PubChem CID 14988698) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
PubChem CID14988698
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
SMILESO=C(Cn1ccnc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C16H13N3O/c20-16(11-19-10-9-18-12-19)15-3-1-13(2-4-15)14-5-7-17-8-6-14/h1-10,12H,11H2
InChIKeyGSWTWDDVJDPFLY-UHFFFAOYSA-N
XLogP2.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
CID 57320594
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2-imidazol-1-yl-1-pyridin-3-ylethanone
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N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
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1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
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1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
CID 12841537
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 19078351
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
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1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone (CID 14988698) is 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone is O=C(Cn1ccnc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone?
The InChIKey is GSWTWDDVJDPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(11-19-10-9-18-12-19)15-3-1-13(2-4-15)14-5-7-17-8-6-14/h1-10,12H,11H2.
What are the key properties of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone?
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone has a molecular weight of 263.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone is sourced from PubChem (CID 14988698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).