2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol

C13H14ClFN2O — CID 114012562

IUPAC2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H14ClFN2O/c1-2-17-8-16-7-12(17)13(18)6-9-3-4-10(14)11(15)5-9/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyRFGBAJABTTTYDT-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol (PubChem CID 114012562) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
PubChem CID114012562
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H14ClFN2O/c1-2-17-8-16-7-12(17)13(18)6-9-3-4-10(14)11(15)5-9/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyRFGBAJABTTTYDT-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
2-(4-chloro-3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 107894529
1-(3-ethylimidazol-4-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 66134538
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol (CID 114012562) is 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is RFGBAJABTTTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-17-8-16-7-12(17)13(18)6-9-3-4-10(14)11(15)5-9/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 268.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 114012562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).