(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C13H14F3N3O — CID 102707386

IUPAC(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCCn1cncc1C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-2-5-19-8-18-7-11(19)12(20)9-6-17-4-3-10(9)13(14,15)16/h3-4,6-8,12,20H,2,5H2,1H3
InChIKeyKWXQZIIWKHBUEC-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.79
Rot. Bonds4

About (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707386) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707386
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCCn1cncc1C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-2-5-19-8-18-7-11(19)12(20)9-6-17-4-3-10(9)13(14,15)16/h3-4,6-8,12,20H,2,5H2,1H3
InChIKeyKWXQZIIWKHBUEC-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707294
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66130445
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939
(5-fluoro-2-methoxyphenyl)-(3-propylimidazol-4-yl)methanol
CID 82769158
(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66131636
2,2-difluoro-3-hydroxy-3-(3-propylimidazol-4-yl)propanoic acid
CID 66131850
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636

Frequently Asked Questions

What is the IUPAC name of (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707386) is (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is CCCn1cncc1C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is KWXQZIIWKHBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-5-19-8-18-7-11(19)12(20)9-6-17-4-3-10(9)13(14,15)16/h3-4,6-8,12,20H,2,5H2,1H3.
What are the key properties of (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 285.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).