1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole

C13H15ClN2S — CID 15077505

IUPAC1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole
SMILESCC(C)(C)n1ccnc1Sc1ccccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-13(2,3)16-9-8-15-12(16)17-11-7-5-4-6-10(11)14/h4-9H,1-3H3
InChIKeyZHDFQMXEWVOLPA-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.44
Rot. Bonds2

About 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole

1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole (PubChem CID 15077505) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole
PubChem CID15077505
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole
SMILESCC(C)(C)n1ccnc1Sc1ccccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-13(2,3)16-9-8-15-12(16)17-11-7-5-4-6-10(11)14/h4-9H,1-3H3
InChIKeyZHDFQMXEWVOLPA-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole 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-(4-Chlorophenyl)sulfanylethyl]imidazole
CID 762587
1-[4-(4-Chlorophenyl)sulfanylbutyl]imidazole
CID 2922879
Cambridge id 7017928
CID 2924106
1-[1,1,2,2-Tetrafluoro-2-(4-chlorophenylthio)ethyl]-1H-imidazole
CID 130318736
2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole
CID 4550698
1-Methyl-2-phenylsulfanyl-1H-imidazole
CID 10241768
1H-Imidazole, 1-(methoxymethyl)-2-(phenylthio)-
CID 11020414
2-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
CID 15077512
2-[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
CID 22155964
(2-Chlorophenyl)-cyclohexyl-(2-fluorophenyl)-(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-lambda6-sulfane
CID 67058095
2-(2-Fluorophenyl)sulfanyl-1-methylimidazole
CID 91422235
2-[4-Chloro-2-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
CID 140353724

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole?
The IUPAC name of 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole (CID 15077505) is 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole.
What is the SMILES notation for 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole?
The canonical SMILES for 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole is CC(C)(C)n1ccnc1Sc1ccccc1Cl.
What is the InChIKey of 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole?
The InChIKey is ZHDFQMXEWVOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-13(2,3)16-9-8-15-12(16)17-11-7-5-4-6-10(11)14/h4-9H,1-3H3.
What are the key properties of 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole?
1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole has a molecular weight of 266.80 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-chlorophenyl)sulfanylimidazole is sourced from PubChem (CID 15077505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).