4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C25H19Cl2F3N4O3S — CID 177238883

IUPAC4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CNC(=O)N1c1ccc2c(c1)CN(C(=O)c1c(Sc3c(Cl)cccc3Cl)cc(C(F)(F)F)[nH]c1=O)C2
InChIInChI=1S/C25H19Cl2F3N4O3S/c1-12-9-31-24(37)34(12)15-6-5-13-10-33(11-14(13)7-15)23(36)20-18(8-19(25(28,29)30)32-22(20)35)38-21-16(26)3-2-4-17(21)27/h2-8,12H,9-11H2,1H3,(H,31,37)(H,32,35)
InChIKeyGRKGHONITSCGJD-UHFFFAOYSA-N
MW583.42 g/mol
LogP5.93
Rot. Bonds4

About 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 177238883) has the molecular formula C25H19Cl2F3N4O3S and a molecular weight of 583.42 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID177238883
Molecular FormulaC25H19Cl2F3N4O3S
Molecular Weight583.42 g/mol
Exact Mass582.05
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC1CNC(=O)N1c1ccc2c(c1)CN(C(=O)c1c(Sc3c(Cl)cccc3Cl)cc(C(F)(F)F)[nH]c1=O)C2
InChIInChI=1S/C25H19Cl2F3N4O3S/c1-12-9-31-24(37)34(12)15-6-5-13-10-33(11-14(13)7-15)23(36)20-18(8-19(25(28,29)30)32-22(20)35)38-21-16(26)3-2-4-17(21)27/h2-8,12H,9-11H2,1H3,(H,31,37)(H,32,35)
InChIKeyGRKGHONITSCGJD-UHFFFAOYSA-N
XLogP5.93
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.42
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 177238883) is 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is CC1CNC(=O)N1c1ccc2c(c1)CN(C(=O)c1c(Sc3c(Cl)cccc3Cl)cc(C(F)(F)F)[nH]c1=O)C2.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GRKGHONITSCGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N4O3S/c1-12-9-31-24(37)34(12)15-6-5-13-10-33(11-14(13)7-15)23(36)20-18(8-19(25(28,29)30)32-22(20)35)38-21-16(26)3-2-4-17(21)27/h2-8,12H,9-11H2,1H3,(H,31,37)(H,32,35).
What are the key properties of 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 583.42 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfanyl-3-[5-(5-methyl-2-oxoimidazolidin-1-yl)-1,3-dihydroisoindole-2-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 177238883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).