1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol

C13H16N2O — CID 61082232

IUPAC1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-2-10-3-5-11(6-4-10)12(16)9-13-14-7-8-15-13/h3-8,12,16H,2,9H2,1H3,(H,14,15)
InChIKeyTXEXKIPQJXTRKZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol

1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol (PubChem CID 61082232) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
PubChem CID61082232
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-2-10-3-5-11(6-4-10)12(16)9-13-14-7-8-15-13/h3-8,12,16H,2,9H2,1H3,(H,14,15)
InChIKeyTXEXKIPQJXTRKZ-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
Denzimol hydrochloride
CID 53625
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
(S)-(4-fluoro-2-propylphenyl)(1H-imidazol-2-yl)methanol
CID 126961334
AZ8838
CID 132117112
1-(4-methylphenyl)-1-phenyl-2-[1-(1-propenyl)-1H-imidazol-2-yl]ethanol
CID 6270550
1-(4-tert-Butylphenyl)-2-(1H-imidazol-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 3059784
Denzimol, (S)-
CID 76965185
2-(1-Methylimidazol-2-yl)-1,1-diphenylethanol
CID 771820
US10550089, Example 59
CID 132121833
Imidazole-1-ethanol, alpha-(4-sec-butylphenyl)-, monohydrochloride
CID 3064166
1-Imidazoleethanol, alpha-(2,3,5,6-tetramethylphenyl)-
CID 3057035

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol (CID 61082232) is 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol is CCc1ccc(C(O)Cc2ncc[nH]2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol?
The InChIKey is TXEXKIPQJXTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10-3-5-11(6-4-10)12(16)9-13-14-7-8-15-13/h3-8,12,16H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol?
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 61082232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).