2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol

C13H15FN6O — CID 79501283

IUPAC2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
SMILESNC1=NCC(c2cn(CCO)nn2)N1c1ccccc1F
InChIInChI=1S/C13H15FN6O/c14-9-3-1-2-4-11(9)20-12(7-16-13(20)15)10-8-19(5-6-21)18-17-10/h1-4,8,12,21H,5-7H2,(H2,15,16)
InChIKeyYRFUCHHSEJWCDH-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.29
Rot. Bonds4

About 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol

2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol (PubChem CID 79501283) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
PubChem CID79501283
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
SMILESNC1=NCC(c2cn(CCO)nn2)N1c1ccccc1F
InChIInChI=1S/C13H15FN6O/c14-9-3-1-2-4-11(9)20-12(7-16-13(20)15)10-8-19(5-6-21)18-17-10/h1-4,8,12,21H,5-7H2,(H2,15,16)
InChIKeyYRFUCHHSEJWCDH-UHFFFAOYSA-N
XLogP0.29
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
CID 79500757
2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
CID 79499634
2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol
CID 79509398
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79500811
1-(2-fluorophenyl)-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79521547
1-(2-fluorophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
CID 79521205
1-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
CID 104772272
3-[4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]propan-1-ol
CID 79498538
5-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521371
5-cyclopentyl-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521373
1-(2-chlorophenyl)-5-(2,6-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499907
5-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 103571072

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol (CID 79501283) is 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol is NC1=NCC(c2cn(CCO)nn2)N1c1ccccc1F.
What is the InChIKey of 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The InChIKey is YRFUCHHSEJWCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-9-3-1-2-4-11(9)20-12(7-16-13(20)15)10-8-19(5-6-21)18-17-10/h1-4,8,12,21H,5-7H2,(H2,15,16).
What are the key properties of 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol has a molecular weight of 290.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 79501283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).