2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol

C14H18N2OS — CID 3057198

IUPAC2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol
SMILESCCCSc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-9-18-13-5-3-12(4-6-13)14(17)10-16-8-7-15-11-16/h3-8,11,14,17H,2,9-10H2,1H3
InChIKeyPAGVEHPSIOPLPX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.12
Rot. Bonds6

About 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol

2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol (PubChem CID 3057198) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol
PubChem CID3057198
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol
SMILESCCCSc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-9-18-13-5-3-12(4-6-13)14(17)10-16-8-7-15-11-16/h3-8,11,14,17H,2,9-10H2,1H3
InChIKeyPAGVEHPSIOPLPX-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
1-(4-tert-Butylphenyl)-2-(1H-imidazol-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 3059784
Denzimol, (S)-
CID 76965185
Imidazole-1-ethanol, alpha-(4-sec-butylphenyl)-, monohydrochloride
CID 3064166
1-Imidazoleethanol, alpha-(2,3,5,6-tetramethylphenyl)-
CID 3057035
1-Imidazoleethanol, alpha-(p-isopentylthiophenyl)-
CID 156267
1-Imidazoleethanol, beta-methyl-alpha-(p-phenylthiophenyl)-
CID 3057082
1-Imidazoleethanol, alpha-(p-methylthiophenyl)-
CID 3057197
2-(1H-Imidazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3074053
3-(1H-imidazol-1-yl)-1-phenylpropan-1-ol
CID 9990432

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol (CID 3057198) is 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol is CCCSc1ccc(C(O)Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol?
The InChIKey is PAGVEHPSIOPLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-9-18-13-5-3-12(4-6-13)14(17)10-16-8-7-15-11-16/h3-8,11,14,17H,2,9-10H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol?
2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol has a molecular weight of 262.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanol is sourced from PubChem (CID 3057198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).