(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol

C13H14F2N2O — CID 63976483

IUPAC(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O/c1-2-6-17-7-5-16-13(17)12(18)10-8-9(14)3-4-11(10)15/h3-5,7-8,12,18H,2,6H2,1H3
InChIKeySQZMJKKQDMAFER-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.65
Rot. Bonds4

About (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol

(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 63976483) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
PubChem CID63976483
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O/c1-2-6-17-7-5-16-13(17)12(18)10-8-9(14)3-4-11(10)15/h3-5,7-8,12,18H,2,6H2,1H3
InChIKeySQZMJKKQDMAFER-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

[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 109411247
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755972
2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
CID 66070414

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol (CID 63976483) is (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is SQZMJKKQDMAFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-6-17-7-5-16-13(17)12(18)10-8-9(14)3-4-11(10)15/h3-5,7-8,12,18H,2,6H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol?
(2,5-difluorophenyl)-(1-propylimidazol-2-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)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 63976483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).