4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one

C20H21Cl2N3O2S — CID 514440

IUPAC4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one
SMILESCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(COCc2cccnc2)n(C)c1=O
InChIInChI=1S/C20H21Cl2N3O2S/c1-13(2)25-19(28-17-8-15(21)7-16(22)9-17)18(24(3)20(25)26)12-27-11-14-5-4-6-23-10-14/h4-10,13H,11-12H2,1-3H3
InChIKeyVHPYMWDZQDMIBO-UHFFFAOYSA-N
MW438.38 g/mol
LogP5.34
Rot. Bonds7

About 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one

4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one (PubChem CID 514440) has the molecular formula C20H21Cl2N3O2S and a molecular weight of 438.38 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one
PubChem CID514440
Molecular FormulaC20H21Cl2N3O2S
Molecular Weight438.38 g/mol
Exact Mass437.07
IUPAC Name4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one
SMILESCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(COCc2cccnc2)n(C)c1=O
InChIInChI=1S/C20H21Cl2N3O2S/c1-13(2)25-19(28-17-8-15(21)7-16(22)9-17)18(24(3)20(25)26)12-27-11-14-5-4-6-23-10-14/h4-10,13H,11-12H2,1-3H3
InChIKeyVHPYMWDZQDMIBO-UHFFFAOYSA-N
XLogP5.34
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-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 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one (CID 514440) is 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one is CC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(COCc2cccnc2)n(C)c1=O.
What is the InChIKey of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one?
The InChIKey is VHPYMWDZQDMIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2S/c1-13(2)25-19(28-17-8-15(21)7-16(22)9-17)18(24(3)20(25)26)12-27-11-14-5-4-6-23-10-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one?
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one has a molecular weight of 438.38 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-3-ylmethoxymethyl)imidazol-2-one is sourced from PubChem (CID 514440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).