2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

C16H22N2O — CID 66164033

IUPAC2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2cncn2C(C)C)cc1C
InChIInChI=1S/C16H22N2O/c1-11(2)18-10-17-9-15(18)16(19)8-14-6-5-12(3)13(4)7-14/h5-7,9-11,16,19H,8H2,1-4H3
InChIKeyHEIMPSNUNRYLTG-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.36
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66164033) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66164033
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCc1ccc(CC(O)c2cncn2C(C)C)cc1C
InChIInChI=1S/C16H22N2O/c1-11(2)18-10-17-9-15(18)16(19)8-14-6-5-12(3)13(4)7-14/h5-7,9-11,16,19H,8H2,1-4H3
InChIKeyHEIMPSNUNRYLTG-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163449
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220124
1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol
CID 79566864
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
CID 106590501
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66164033) is 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is Cc1ccc(CC(O)c2cncn2C(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is HEIMPSNUNRYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)18-10-17-9-15(18)16(19)8-14-6-5-12(3)13(4)7-14/h5-7,9-11,16,19H,8H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66164033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).