5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one

C18H15ClF2N2O2 — CID 163998791

IUPAC5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one
SMILESCOc1ccc(C2(c3cc(F)cc(F)c3)N=C(C)N(C)C2=O)cc1Cl
InChIInChI=1S/C18H15ClF2N2O2/c1-10-22-18(17(24)23(10)2,12-6-13(20)9-14(21)7-12)11-4-5-16(25-3)15(19)8-11/h4-9H,1-3H3
InChIKeyUHBVTFSWHPJCQD-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.76
Rot. Bonds3

About 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one

5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one (PubChem CID 163998791) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one
PubChem CID163998791
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Name5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one
SMILESCOc1ccc(C2(c3cc(F)cc(F)c3)N=C(C)N(C)C2=O)cc1Cl
InChIInChI=1S/C18H15ClF2N2O2/c1-10-22-18(17(24)23(10)2,12-6-13(20)9-14(21)7-12)11-4-5-16(25-3)15(19)8-11/h4-9H,1-3H3
InChIKeyUHBVTFSWHPJCQD-UHFFFAOYSA-N
XLogP3.76
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one (CID 163998791) is 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one is COc1ccc(C2(c3cc(F)cc(F)c3)N=C(C)N(C)C2=O)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one?
The InChIKey is UHBVTFSWHPJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-10-22-18(17(24)23(10)2,12-6-13(20)9-14(21)7-12)11-4-5-16(25-3)15(19)8-11/h4-9H,1-3H3.
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one?
5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one has a molecular weight of 364.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-5-(3,5-difluorophenyl)-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 163998791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).