[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone

C18H17ClN2OS — CID 4177992

IUPAC[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2OS/c1-13-6-8-14(9-7-13)17(22)21-11-10-20-18(21)23-12-15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3
InChIKeyNOYIHMYJTJJJMV-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.39
Rot. Bonds3

About [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone

[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone (PubChem CID 4177992) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
PubChem CID4177992
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2OS/c1-13-6-8-14(9-7-13)17(22)21-11-10-20-18(21)23-12-15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3
InChIKeyNOYIHMYJTJJJMV-UHFFFAOYSA-N
XLogP4.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone 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 [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone (CID 4177992) is [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1.
What is the InChIKey of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
The InChIKey is NOYIHMYJTJJJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-13-6-8-14(9-7-13)17(22)21-11-10-20-18(21)23-12-15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3.
What are the key properties of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone has a molecular weight of 344.87 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 4177992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).