(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol

C13H14F2N2O — CID 66132426

IUPAC(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O/c1-2-5-17-8-16-7-12(17)13(18)10-6-9(14)3-4-11(10)15/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyOPCYHVKJHHLVAS-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.65
Rot. Bonds4

About (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol

(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66132426) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
PubChem CID66132426
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O/c1-2-5-17-8-16-7-12(17)13(18)10-6-9(14)3-4-11(10)15/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyOPCYHVKJHHLVAS-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-propylimidazol-4-yl)methanol
CID 82769158
(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66130445
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66131636
2-(4-fluoro-2-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 114346924
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131048
(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707386
(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
CID 66117981
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745
(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol
CID 116505404
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 114686729

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol (CID 66132426) is (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is OPCYHVKJHHLVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-5-17-8-16-7-12(17)13(18)10-6-9(14)3-4-11(10)15/h3-4,6-8,13,18H,2,5H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol has a molecular weight of 252.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66132426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).