2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol

C12H13ClN2O — CID 107978119

IUPAC2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCn1cnc(C(O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H13ClN2O/c1-15-7-11(14-8-15)12(16)6-9-2-4-10(13)5-3-9/h2-5,7-8,12,16H,6H2,1H3
InChIKeyCGFMBUBSNGRTCP-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol

2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 107978119) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
PubChem CID107978119
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCn1cnc(C(O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H13ClN2O/c1-15-7-11(14-8-15)12(16)6-9-2-4-10(13)5-3-9/h2-5,7-8,12,16H,6H2,1H3
InChIKeyCGFMBUBSNGRTCP-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978156
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10704935
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
1-(1-ethylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 114272638
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978204
2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978417
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol (CID 107978119) is 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol is Cn1cnc(C(O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is CGFMBUBSNGRTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-15-7-11(14-8-15)12(16)6-9-2-4-10(13)5-3-9/h2-5,7-8,12,16H,6H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol?
2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 236.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 107978119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).