1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol

C13H16N2O — CID 66771385

IUPAC1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2ncc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-9-4-5-10(2)11(8-9)13(3,16)12-14-6-7-15-12/h4-8,16H,1-3H3,(H,14,15)
InChIKeyCOPFHVQYAYNMKF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.28
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol

1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol (PubChem CID 66771385) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
PubChem CID66771385
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2ncc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-9-4-5-10(2)11(8-9)13(3,16)12-14-6-7-15-12/h4-8,16H,1-3H3,(H,14,15)
InChIKeyCOPFHVQYAYNMKF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol (CID 66771385) is 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol is Cc1ccc(C)c(C(C)(O)c2ncc[nH]2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is COPFHVQYAYNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-5-10(2)11(8-9)13(3,16)12-14-6-7-15-12/h4-8,16H,1-3H3,(H,14,15).
What are the key properties of 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol?
1-(2,5-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 1-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 66771385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).