3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one

C23H19ClF2N2O2 — CID 145417086

IUPAC3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(N2CC(c3cccc(OC(F)F)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C23H19ClF2N2O2/c1-15-5-9-18(10-6-15)27-14-21(16-3-2-4-20(13-16)30-22(25)26)28(23(27)29)19-11-7-17(24)8-12-19/h2-13,21-22H,14H2,1H3
InChIKeyNTAQUGIDKCFQFS-UHFFFAOYSA-N
MW428.87 g/mol
LogP6.44
Rot. Bonds5

About 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one

3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one (PubChem CID 145417086) has the molecular formula C23H19ClF2N2O2 and a molecular weight of 428.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
PubChem CID145417086
Molecular FormulaC23H19ClF2N2O2
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(N2CC(c3cccc(OC(F)F)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C23H19ClF2N2O2/c1-15-5-9-18(10-6-15)27-14-21(16-3-2-4-20(13-16)30-22(25)26)28(23(27)29)19-11-7-17(24)8-12-19/h2-13,21-22H,14H2,1H3
InChIKeyNTAQUGIDKCFQFS-UHFFFAOYSA-N
XLogP6.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 59486046
1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 143702696
1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 145417064
3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485762
(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485652
3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 68703096
(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 70821754
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one
CID 126696807
(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
CID 55264090
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
CID 71091242

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one (CID 145417086) is 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one is Cc1ccc(N2CC(c3cccc(OC(F)F)c3)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one?
The InChIKey is NTAQUGIDKCFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O2/c1-15-5-9-18(10-6-15)27-14-21(16-3-2-4-20(13-16)30-22(25)26)28(23(27)29)19-11-7-17(24)8-12-19/h2-13,21-22H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one?
3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one has a molecular weight of 428.87 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 145417086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).