2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol

C12H13ClN2OS — CID 70278030

IUPAC2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol
SMILESCSc1cc(Cl)ccc1C(CO)c1ncc[nH]1
InChIInChI=1S/C12H13ClN2OS/c1-17-11-6-8(13)2-3-9(11)10(7-16)12-14-4-5-15-12/h2-6,10,16H,7H2,1H3,(H,14,15)
InChIKeyUHBCUMNZLQBIOG-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol

2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol (PubChem CID 70278030) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol
PubChem CID70278030
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol
SMILESCSc1cc(Cl)ccc1C(CO)c1ncc[nH]1
InChIInChI=1S/C12H13ClN2OS/c1-17-11-6-8(13)2-3-9(11)10(7-16)12-14-4-5-15-12/h2-6,10,16H,7H2,1H3,(H,14,15)
InChIKeyUHBCUMNZLQBIOG-UHFFFAOYSA-N
XLogP2.91
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 68678189
2-(2,6-difluorophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 68677003
2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole
CID 69257218
5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol
CID 167816344
4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
CID 19866649
O-ethyl 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)butanethioate
CID 88692644
[(2,5-dichlorophenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252174
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
1-bromo-1-(4-chloro-2-methylsulfanylphenyl)propan-2-one
CID 131054365
4-chloro-2-methylsulfanylphenol
CID 13199339
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol (CID 70278030) is 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol is CSc1cc(Cl)ccc1C(CO)c1ncc[nH]1.
What is the InChIKey of 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol?
The InChIKey is UHBCUMNZLQBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-17-11-6-8(13)2-3-9(11)10(7-16)12-14-4-5-15-12/h2-6,10,16H,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol?
2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol has a molecular weight of 268.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 70278030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).