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

C13H15BrN6O — CID 79500757

IUPAC2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
SMILESNC1=NCC(c2cn(CCO)nn2)N1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN6O/c14-9-1-3-10(4-2-9)20-12(7-16-13(20)15)11-8-19(5-6-21)18-17-11/h1-4,8,12,21H,5-7H2,(H2,15,16)
InChIKeyMHDVBNQAGJRVMM-UHFFFAOYSA-N
MW351.21 g/mol
LogP0.91
Rot. Bonds4

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

2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol (PubChem CID 79500757) has the molecular formula C13H15BrN6O and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
PubChem CID79500757
Molecular FormulaC13H15BrN6O
Molecular Weight351.21 g/mol
Exact Mass350.05
IUPAC Name2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
SMILESNC1=NCC(c2cn(CCO)nn2)N1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN6O/c14-9-1-3-10(4-2-9)20-12(7-16-13(20)15)11-8-19(5-6-21)18-17-11/h1-4,8,12,21H,5-7H2,(H2,15,16)
InChIKeyMHDVBNQAGJRVMM-UHFFFAOYSA-N
XLogP0.91
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-amino-3-(3-chlorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
CID 79499634
2-[4-[2-amino-3-(2-fluorophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol
CID 79501283
2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol
CID 79509398
3-[4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]propan-1-ol
CID 79498538
1-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79515078
1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
CID 79514030
1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79596125
1-(4-bromophenyl)-5-(4-chloro-3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79501565
1-(4-bromophenyl)-5-(3-chloro-5-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 114455180
5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine
CID 79514525
5-(4-bromothiophen-2-yl)-1-(4-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505173
1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521542

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol (CID 79500757) is 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol is NC1=NCC(c2cn(CCO)nn2)N1c1ccc(Br)cc1.
What is the InChIKey of 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
The InChIKey is MHDVBNQAGJRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN6O/c14-9-1-3-10(4-2-9)20-12(7-16-13(20)15)11-8-19(5-6-21)18-17-11/h1-4,8,12,21H,5-7H2,(H2,15,16).
What are the key properties of 2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol?
2-[4-[2-amino-3-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol has a molecular weight of 351.21 g/mol, XLogP of 0.91, 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-(4-bromophenyl)-4,5-dihydroimidazol-4-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 79500757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).