1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol

C14H15FN2O — CID 66140261

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cncn1C1CC1
InChIInChI=1S/C14H15FN2O/c15-11-3-1-2-10(6-11)7-14(18)13-8-16-9-17(13)12-4-5-12/h1-3,6,8-9,12,14,18H,4-5,7H2
InChIKeyFRAOZIYHANBBMG-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol

1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol (PubChem CID 66140261) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol
PubChem CID66140261
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cncn1C1CC1
InChIInChI=1S/C14H15FN2O/c15-11-3-1-2-10(6-11)7-14(18)13-8-16-9-17(13)12-4-5-12/h1-3,6,8-9,12,14,18H,4-5,7H2
InChIKeyFRAOZIYHANBBMG-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol (CID 66140261) is 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol?
The InChIKey is FRAOZIYHANBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-3-1-2-10(6-11)7-14(18)13-8-16-9-17(13)12-4-5-12/h1-3,6,8-9,12,14,18H,4-5,7H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol?
1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol has a molecular weight of 246.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 66140261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).