1-phenyl-2-(2-phenylimidazol-1-yl)ethanone

C17H14N2O — CID 61069382

IUPAC1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
SMILESO=C(Cn1ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2O/c20-16(14-7-3-1-4-8-14)13-19-12-11-18-17(19)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyXKOUHZRAHYPIJT-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.43
Rot. Bonds4

About 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone

1-phenyl-2-(2-phenylimidazol-1-yl)ethanone (PubChem CID 61069382) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
PubChem CID61069382
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
SMILESO=C(Cn1ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2O/c20-16(14-7-3-1-4-8-14)13-19-12-11-18-17(19)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyXKOUHZRAHYPIJT-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone?
The IUPAC name of 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone (CID 61069382) is 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone is O=C(Cn1ccnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone?
The InChIKey is XKOUHZRAHYPIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-16(14-7-3-1-4-8-14)13-19-12-11-18-17(19)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone?
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone has a molecular weight of 262.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-phenylimidazol-1-yl)ethanone is sourced from PubChem (CID 61069382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).