1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol

C15H20N2O — CID 66117765

IUPAC1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cncn2C)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)13-6-4-12(5-7-13)8-15(18)14-9-16-10-17(14)3/h4-7,9-11,15,18H,8H2,1-3H3
InChIKeyIEZRYXDEEYAUFT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol

1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 66117765) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID66117765
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cncn2C)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)13-6-4-12(5-7-13)8-15(18)14-9-16-10-17(14)3/h4-7,9-11,15,18H,8H2,1-3H3
InChIKeyIEZRYXDEEYAUFT-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66139864
2-(1-ethylpyrazol-4-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116928
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
1-(3-methylimidazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 66116921
2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole
CID 142129139

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol (CID 66117765) is 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2cncn2C)cc1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is IEZRYXDEEYAUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)13-6-4-12(5-7-13)8-15(18)14-9-16-10-17(14)3/h4-7,9-11,15,18H,8H2,1-3H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol?
1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 66117765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).