2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol

C15H19ClN2OS — CID 46230739

IUPAC2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol
SMILESCC(C)(C)SC(C(O)c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C15H19ClN2OS/c1-15(2,3)20-14(18-9-8-17-10-18)13(19)11-4-6-12(16)7-5-11/h4-10,13-14,19H,1-3H3
InChIKeyHZLMRDVLMIGVAZ-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.30
Rot. Bonds4

About 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol

2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 46230739) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol
PubChem CID46230739
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol
SMILESCC(C)(C)SC(C(O)c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C15H19ClN2OS/c1-15(2,3)20-14(18-9-8-17-10-18)13(19)11-4-6-12(16)7-5-11/h4-10,13-14,19H,1-3H3
InChIKeyHZLMRDVLMIGVAZ-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-phenylmethoxyethyl]imidazole
CID 46230741
1-(4-chlorophenyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 57000012
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
CID 70611026
N-butyl-N-tert-butyl-2-(4-chlorophenyl)-2-imidazol-1-ylacetamide
CID 20564380
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-sulfanylpropanethioate
CID 88824708
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)ethanethioate
CID 88823868
1-[1-[(4-chlorophenyl)methylsulfanyl]-3,5,5-trimethylhexan-2-yl]imidazole
CID 171987031
4-(4-chlorophenyl)-3-imidazol-1-ylbutan-2-one;hydrochloride
CID 67157646
1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole
CID 171986373
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] pentanedithioate;nitric acid
CID 88824801
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol (CID 46230739) is 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol is CC(C)(C)SC(C(O)c1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is HZLMRDVLMIGVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-15(2,3)20-14(18-9-8-17-10-18)13(19)11-4-6-12(16)7-5-11/h4-10,13-14,19H,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol?
2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 310.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 46230739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).