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

C13H15ClN6O — CID 79499634

IUPAC2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
SMILESNC1=NCC(c2cn(CCO)nn2)N1c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN6O/c14-9-2-1-3-10(6-9)20-12(7-16-13(20)15)11-8-19(4-5-21)18-17-11/h1-3,6,8,12,21H,4-5,7H2,(H2,15,16)
InChIKeyDXIPWQPFRSMYRO-UHFFFAOYSA-N
MW306.76 g/mol
LogP0.80
Rot. Bonds4

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

2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol (PubChem CID 79499634) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
PubChem CID79499634
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
SMILESNC1=NCC(c2cn(CCO)nn2)N1c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN6O/c14-9-2-1-3-10(6-9)20-12(7-16-13(20)15)11-8-19(4-5-21)18-17-11/h1-3,6,8,12,21H,4-5,7H2,(H2,15,16)
InChIKeyDXIPWQPFRSMYRO-UHFFFAOYSA-N
XLogP0.80
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol (CID 79499634) is 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol is NC1=NCC(c2cn(CCO)nn2)N1c1cccc(Cl)c1.
What is the InChIKey of 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The InChIKey is DXIPWQPFRSMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c14-9-2-1-3-10(6-9)20-12(7-16-13(20)15)11-8-19(4-5-21)18-17-11/h1-3,6,8,12,21H,4-5,7H2,(H2,15,16).
What are the key properties of 2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol has a molecular weight of 306.76 g/mol, XLogP of 0.80, 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-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 79499634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).