(4-imidazol-1-ylphenyl)-phenylmethanone

C16H12N2O — CID 1222494

IUPAC(4-imidazol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H12N2O/c19-16(13-4-2-1-3-5-13)14-6-8-15(9-7-14)18-11-10-17-12-18/h1-12H
InChIKeyPYBMGIXPURIWKX-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.10
Rot. Bonds3

About (4-imidazol-1-ylphenyl)-phenylmethanone

(4-imidazol-1-ylphenyl)-phenylmethanone (PubChem CID 1222494) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-phenylmethanone
PubChem CID1222494
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name(4-imidazol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H12N2O/c19-16(13-4-2-1-3-5-13)14-6-8-15(9-7-14)18-11-10-17-12-18/h1-12H
InChIKeyPYBMGIXPURIWKX-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-phenylmethanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-phenylmethanone (CID 1222494) is (4-imidazol-1-ylphenyl)-phenylmethanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-phenylmethanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-phenylmethanone?
The InChIKey is PYBMGIXPURIWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(13-4-2-1-3-5-13)14-6-8-15(9-7-14)18-11-10-17-12-18/h1-12H.
What are the key properties of (4-imidazol-1-ylphenyl)-phenylmethanone?
(4-imidazol-1-ylphenyl)-phenylmethanone has a molecular weight of 248.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-phenylmethanone is sourced from PubChem (CID 1222494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).