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

C13H14F2N2O — CID 66131636

IUPAC(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-2-3-17-8-16-7-12(17)13(18)9-4-10(14)6-11(15)5-9/h4-8,13,18H,2-3H2,1H3
InChIKeyKJYRSDOYGUXNTR-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.65
Rot. Bonds4

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

(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66131636) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
PubChem CID66131636
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-2-3-17-8-16-7-12(17)13(18)9-4-10(14)6-11(15)5-9/h4-8,13,18H,2-3H2,1H3
InChIKeyKJYRSDOYGUXNTR-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

(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
(5-fluoro-2-methoxyphenyl)-(3-propylimidazol-4-yl)methanol
CID 82769158
2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131048
2-(4-fluoro-2-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 114346924
(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol
CID 116505404
(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66130445
(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707386
2-amino-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66129932
2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131633
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol (CID 66131636) is (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is KJYRSDOYGUXNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-3-17-8-16-7-12(17)13(18)9-4-10(14)6-11(15)5-9/h4-8,13,18H,2-3H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
(3,5-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 (3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66131636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).