1,3-dimethyl-4,5-diphenylimidazol-2-one

C17H16N2O — CID 5349852

IUPAC1,3-dimethyl-4,5-diphenylimidazol-2-one
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C17H16N2O/c1-18-15(13-9-5-3-6-10-13)16(19(2)17(18)20)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyIVGYPBXLHQYQSO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.06
Rot. Bonds2

About 1,3-dimethyl-4,5-diphenylimidazol-2-one

1,3-dimethyl-4,5-diphenylimidazol-2-one (PubChem CID 5349852) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,3-dimethyl-4,5-diphenylimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4,5-diphenylimidazol-2-one
PubChem CID5349852
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1,3-dimethyl-4,5-diphenylimidazol-2-one
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C17H16N2O/c1-18-15(13-9-5-3-6-10-13)16(19(2)17(18)20)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyIVGYPBXLHQYQSO-UHFFFAOYSA-N
XLogP3.06
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5-diphenylimidazol-2-one?
The IUPAC name of 1,3-dimethyl-4,5-diphenylimidazol-2-one (CID 5349852) is 1,3-dimethyl-4,5-diphenylimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-4,5-diphenylimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-4,5-diphenylimidazol-2-one is Cn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4,5-diphenylimidazol-2-one?
The InChIKey is IVGYPBXLHQYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18-15(13-9-5-3-6-10-13)16(19(2)17(18)20)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1,3-dimethyl-4,5-diphenylimidazol-2-one?
1,3-dimethyl-4,5-diphenylimidazol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5-diphenylimidazol-2-one is sourced from PubChem (CID 5349852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).