1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one

C25H22N2O — CID 25141508

IUPAC1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H22N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19H,16-18H2
InChIKeyGIRXLRQKVHMEGH-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.42
Rot. Bonds7

About 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one

1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one (PubChem CID 25141508) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one
PubChem CID25141508
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H22N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19H,16-18H2
InChIKeyGIRXLRQKVHMEGH-UHFFFAOYSA-N
XLogP5.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one?
The IUPAC name of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one (CID 25141508) is 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one is O=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one?
The InChIKey is GIRXLRQKVHMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19H,16-18H2.
What are the key properties of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one?
1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one has a molecular weight of 366.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 25141508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).