4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one

C19H19Cl2N3O2S — CID 18669475

IUPAC4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(C(O)c2ccncc2)n(C)c1=O
InChIInChI=1S/C19H19Cl2N3O2S/c1-11(2)24-18(27-15-9-13(20)8-14(21)10-15)16(23(3)19(24)26)17(25)12-4-6-22-7-5-12/h4-11,17,25H,1-3H3
InChIKeyGPQPOTFHIZLVDA-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.70
Rot. Bonds5

About 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one

4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one (PubChem CID 18669475) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one
PubChem CID18669475
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC Name4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(C(O)c2ccncc2)n(C)c1=O
InChIInChI=1S/C19H19Cl2N3O2S/c1-11(2)24-18(27-15-9-13(20)8-14(21)10-15)16(23(3)19(24)26)17(25)12-4-6-22-7-5-12/h4-11,17,25H,1-3H3
InChIKeyGPQPOTFHIZLVDA-UHFFFAOYSA-N
XLogP4.70
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,5-Dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrol-3-yl]ethanol
CID 16077427
5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-4-(4-pyridylmethoxymethyl)imidazol-2-one
CID 514427
4-(3,5-Dichlorophenyl)sulfanyl-1-ethyl-3-isopropyl-5-(4-pyridylmethyl)imidazol-2-one
CID 514437
5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-4-(4-pyridylmethyl)imidazol-2-one
CID 514438
5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-4-(3-pyridylmethoxymethyl)imidazol-2-one
CID 514440
5-(3,5-Dichlorophenyl)sulfanyl-1-propan-2-yl-3-prop-2-enyl-4-(pyridin-4-ylmethyl)imidazol-2-one
CID 10296590
4-(3,5-Dichlorophenyl)sulfanyl-5-[methoxy(pyridin-3-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one
CID 18669470
1-[5-(3,5-Dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]ethanol
CID 20727034
[5-(3,5-Dichlorophenyl)sulfanyl-2,4-dimethyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol
CID 22718486
4-(3,5-Dichlorophenyl)sulfanyl-5-[methoxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one
CID 70024409
1-[5-(3,5-Dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-methyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]ethanol;2-methylpropane
CID 142105491
[2-(3,5-Dichlorophenyl)sulfanyl-5-(hydroxymethyl)-3-propan-2-yl-1-(pyridin-3-ylmethyl)-2,3-dihydropyrrol-4-yl]methanol
CID 142105621

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one (CID 18669475) is 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one is CC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(C(O)c2ccncc2)n(C)c1=O.
What is the InChIKey of 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one?
The InChIKey is GPQPOTFHIZLVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c1-11(2)24-18(27-15-9-13(20)8-14(21)10-15)16(23(3)19(24)26)17(25)12-4-6-22-7-5-12/h4-11,17,25H,1-3H3.
What are the key properties of 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one?
4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one has a molecular weight of 424.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)sulfanyl-5-[hydroxy(pyridin-4-yl)methyl]-1-methyl-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 18669475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).