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

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Related Compounds

(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842813
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 40811441
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
[4-[2-amino-4-[3-chloro-5-(2-methoxyphenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 91452921
1-(3-chloro-4-methoxyphenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115946399
methyl 1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963848
[3-(3-chloro-4-methoxyphenyl)-3-hydroxyazetidin-1-yl] 2,2,2-trifluoroacetate
CID 178065785
2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366

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).