1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one

C23H24N2O2 — CID 11772810

IUPAC1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one
SMILESCC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O
InChIInChI=1S/C23H24N2O2/c1-17(26)24-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25(23(24)27)20-15-9-4-10-16-20/h2-3,5-8,11-14,20H,4,9-10,15-16H2,1H3
InChIKeyVDGBHOPGIBGQJJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.15
Rot. Bonds3

About 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one

1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one (PubChem CID 11772810) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one
PubChem CID11772810
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one
SMILESCC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O
InChIInChI=1S/C23H24N2O2/c1-17(26)24-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25(23(24)27)20-15-9-4-10-16-20/h2-3,5-8,11-14,20H,4,9-10,15-16H2,1H3
InChIKeyVDGBHOPGIBGQJJ-UHFFFAOYSA-N
XLogP5.15
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one?
The IUPAC name of 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one (CID 11772810) is 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one?
The canonical SMILES for 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one is CC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one?
The InChIKey is VDGBHOPGIBGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(26)24-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25(23(24)27)20-15-9-4-10-16-20/h2-3,5-8,11-14,20H,4,9-10,15-16H2,1H3.
What are the key properties of 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one?
1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one has a molecular weight of 360.46 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-cyclohexyl-4,5-diphenylimidazol-2-one is sourced from PubChem (CID 11772810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).