1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one

C19H17ClN2OS — CID 163976670

IUPAC1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one
SMILESCc1cccc(CC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN2OS/c1-14-3-2-4-15(11-14)12-18(23)13-24-19-21-9-10-22(19)17-7-5-16(20)6-8-17/h2-11H,12-13H2,1H3
InChIKeyZJZXRDJRXMMRGG-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.74
Rot. Bonds6

About 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one

1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one (PubChem CID 163976670) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one
PubChem CID163976670
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one
SMILESCc1cccc(CC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN2OS/c1-14-3-2-4-15(11-14)12-18(23)13-24-19-21-9-10-22(19)17-7-5-16(20)6-8-17/h2-11H,12-13H2,1H3
InChIKeyZJZXRDJRXMMRGG-UHFFFAOYSA-N
XLogP4.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-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 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one (CID 163976670) is 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one is Cc1cccc(CC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one?
The InChIKey is ZJZXRDJRXMMRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-14-3-2-4-15(11-14)12-18(23)13-24-19-21-9-10-22(19)17-7-5-16(20)6-8-17/h2-11H,12-13H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one?
1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one has a molecular weight of 356.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-(3-methylphenyl)propan-2-one is sourced from PubChem (CID 163976670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).