(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol

C13H16N2O — CID 124562129

IUPAC(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESCc1cccc(C)c1[C@@](C)(O)c1ncc[nH]1
InChIInChI=1S/C13H16N2O/c1-9-5-4-6-10(2)11(9)13(3,16)12-14-7-8-15-12/h4-8,16H,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyFZTAHGKGKHILAT-CYBMUJFWSA-N
MW216.28 g/mol
LogP2.28
Rot. Bonds2

About (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol

(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol (PubChem CID 124562129) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
PubChem CID124562129
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESCc1cccc(C)c1[C@@](C)(O)c1ncc[nH]1
InChIInChI=1S/C13H16N2O/c1-9-5-4-6-10(2)11(9)13(3,16)12-14-7-8-15-12/h4-8,16H,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyFZTAHGKGKHILAT-CYBMUJFWSA-N
XLogP2.28
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-2-yl)-1-phenylethanol
CID 15123322
1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
CID 66771385
1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol
CID 66771865
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
CID 91811687
2-(2-methoxypropan-2-yl)-1H-imidazole
CID 55287404
2-[3-methyl-2-(methylsulfanylmethyl)phenyl]-1H-imidazole
CID 67618070
2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine
CID 91496892
2-[(2-bromo-6-methylphenyl)methyl]-1H-imidazole
CID 58951728
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol
CID 137405996
3-(1H-imidazol-2-yl)-2-methylpyridine
CID 59198842
2-[1-(2,3-dimethylphenyl)prop-1-enyl]-1H-imidazole
CID 66771337

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol (CID 124562129) is (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol is Cc1cccc(C)c1[C@@](C)(O)c1ncc[nH]1.
What is the InChIKey of (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is FZTAHGKGKHILAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-4-6-10(2)11(9)13(3,16)12-14-7-8-15-12/h4-8,16H,1-3H3,(H,14,15)/t13-/m1/s1.
What are the key properties of (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 124562129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).