2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol

C12H13FN2O — CID 63976213

IUPAC2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1C(O)Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2O/c1-15-6-5-14-12(15)11(16)8-9-3-2-4-10(13)7-9/h2-7,11,16H,8H2,1H3
InChIKeyCKCBGWWRQZPYQG-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol

2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol (PubChem CID 63976213) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
PubChem CID63976213
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1C(O)Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2O/c1-15-6-5-14-12(15)11(16)8-9-3-2-4-10(13)7-9/h2-7,11,16H,8H2,1H3
InChIKeyCKCBGWWRQZPYQG-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 28641905
1-(4-fluorophenyl)-2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 110883509
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 110022496
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol (CID 63976213) is 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1C(O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol?
The InChIKey is CKCBGWWRQZPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-6-5-14-12(15)11(16)8-9-3-2-4-10(13)7-9/h2-7,11,16H,8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol?
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol has a molecular weight of 220.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 63976213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).