2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole

C13H17ClN2O2S2 — CID 2148699

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S2/c1-2-9-20(17,18)16-8-7-15-13(16)19-10-11-5-3-4-6-12(11)14/h3-6H,2,7-10H2,1H3
InChIKeyGZHOOXDGHFNYTJ-UHFFFAOYSA-N
MW332.88 g/mol
LogP2.98
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole

2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148699) has the molecular formula C13H17ClN2O2S2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
PubChem CID2148699
Molecular FormulaC13H17ClN2O2S2
Molecular Weight332.88 g/mol
Exact Mass332.04
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S2/c1-2-9-20(17,18)16-8-7-15-13(16)19-10-11-5-3-4-6-12(11)14/h3-6H,2,7-10H2,1H3
InChIKeyGZHOOXDGHFNYTJ-UHFFFAOYSA-N
XLogP2.98
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148722
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174
2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4246907
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 4078363
1,3-benzodioxol-5-yl-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4685876
N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
CID 2148855
1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
CID 110413794
(5-chloro-2-nitrophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5020276
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
2-[(4-methylphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-4,5-dihydroimidazole
CID 2148732
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole (CID 2148699) is 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole is CCCS(=O)(=O)N1CCN=C1SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
The InChIKey is GZHOOXDGHFNYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S2/c1-2-9-20(17,18)16-8-7-15-13(16)19-10-11-5-3-4-6-12(11)14/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole?
2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole has a molecular weight of 332.88 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).