1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole

C15H17ClN2S2 — CID 20518875

IUPAC1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
SMILESClc1ccc(CC2(CCn3ccnc3)SCCS2)cc1
InChIInChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)11-15(19-9-10-20-15)5-7-18-8-6-17-12-18/h1-4,6,8,12H,5,7,9-11H2
InChIKeyMUXGUIDYLFVXQS-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.35
Rot. Bonds5

About 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole

1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole (PubChem CID 20518875) has the molecular formula C15H17ClN2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
PubChem CID20518875
Molecular FormulaC15H17ClN2S2
Molecular Weight324.90 g/mol
Exact Mass324.05
IUPAC Name1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
SMILESClc1ccc(CC2(CCn3ccnc3)SCCS2)cc1
InChIInChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)11-15(19-9-10-20-15)5-7-18-8-6-17-12-18/h1-4,6,8,12H,5,7,9-11H2
InChIKeyMUXGUIDYLFVXQS-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole 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-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
CID 13084411
1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole
CID 13365927
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518821
1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518671
1-[2-[2-[(4-bromophenyl)methyl]-4-methyl-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518486
1-[[2-[3-(4-chlorophenyl)propyl]-4-methyl-1,3-dithian-2-yl]methyl]imidazole
CID 20518787
1-[2-[4-ethyl-2-[(2,4,6-trichlorophenyl)methyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518578
cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 67648052
1-[2-[4-methyl-2-(2,4,6-trichlorophenyl)-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518732
1-[2-[4-butyl-2-[2-(4-ethylphenyl)ethyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518379
1-[[2-(3-phenylpropyl)-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518699
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole (CID 20518875) is 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole is Clc1ccc(CC2(CCn3ccnc3)SCCS2)cc1.
What is the InChIKey of 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole?
The InChIKey is MUXGUIDYLFVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)11-15(19-9-10-20-15)5-7-18-8-6-17-12-18/h1-4,6,8,12H,5,7,9-11H2.
What are the key properties of 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole?
1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole has a molecular weight of 324.90 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20518875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).