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

C18H16N2O2 — CID 899887

IUPAC1-acetyl-3-methyl-4,5-diphenylimidazol-2-one
SMILESCC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C18H16N2O2/c1-13(21)20-17(15-11-7-4-8-12-15)16(19(2)18(20)22)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyPTEHQQNPWLKMEE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.18
Rot. Bonds2

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

1-acetyl-3-methyl-4,5-diphenylimidazol-2-one (PubChem CID 899887) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-methyl-4,5-diphenylimidazol-2-one
PubChem CID899887
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-acetyl-3-methyl-4,5-diphenylimidazol-2-one
SMILESCC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C18H16N2O2/c1-13(21)20-17(15-11-7-4-8-12-15)16(19(2)18(20)22)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyPTEHQQNPWLKMEE-UHFFFAOYSA-N
XLogP3.18
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one?
The IUPAC name of 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one (CID 899887) is 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one?
The canonical SMILES for 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one is CC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O.
What is the InChIKey of 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one?
The InChIKey is PTEHQQNPWLKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13(21)20-17(15-11-7-4-8-12-15)16(19(2)18(20)22)14-9-5-3-6-10-14/h3-12H,1-2H3.
What are the key properties of 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one?
1-acetyl-3-methyl-4,5-diphenylimidazol-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methyl-4,5-diphenylimidazol-2-one is sourced from PubChem (CID 899887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).