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

C13H14F2N2O — CID 66129636

IUPAC(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2O/c1-2-5-17-8-16-7-12(17)13(18)9-3-4-10(14)11(15)6-9/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeySMZMFPZDQAITFB-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.65
Rot. Bonds4

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

(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66129636) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
PubChem CID66129636
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2O/c1-2-5-17-8-16-7-12(17)13(18)9-3-4-10(14)11(15)6-9/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeySMZMFPZDQAITFB-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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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol (CID 66129636) is (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is SMZMFPZDQAITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-5-17-8-16-7-12(17)13(18)9-3-4-10(14)11(15)6-9/h3-4,6-8,13,18H,2,5H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol?
(3,4-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 (3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66129636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).