1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol

C14H14F2N2O — CID 66140059

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cncn1C1CC1
InChIInChI=1S/C14H14F2N2O/c15-10-2-1-9(12(16)6-10)5-14(19)13-7-17-8-18(13)11-3-4-11/h1-2,6-8,11,14,19H,3-5H2
InChIKeyFWQRMCBCYXVYHD-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol

1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 66140059) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol
PubChem CID66140059
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cncn1C1CC1
InChIInChI=1S/C14H14F2N2O/c15-10-2-1-9(12(16)6-10)5-14(19)13-7-17-8-18(13)11-3-4-11/h1-2,6-8,11,14,19H,3-5H2
InChIKeyFWQRMCBCYXVYHD-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.77
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-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol (CID 66140059) is 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is FWQRMCBCYXVYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-10-2-1-9(12(16)6-10)5-14(19)13-7-17-8-18(13)11-3-4-11/h1-2,6-8,11,14,19H,3-5H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol?
1-(3-cyclopropylimidazol-4-yl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 264.28 g/mol, XLogP of 2.77, 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-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 66140059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).