2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol

C13H16N6O — CID 115458039

IUPAC2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol
SMILESNCc1cn(Cc2nc3ccccc3n2CCO)nn1
InChIInChI=1S/C13H16N6O/c14-7-10-8-18(17-16-10)9-13-15-11-3-1-2-4-12(11)19(13)5-6-20/h1-4,8,20H,5-7,9,14H2
InChIKeyWRFRBAORTJDETN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.13
Rot. Bonds5

About 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol

2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol (PubChem CID 115458039) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol
PubChem CID115458039
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol
SMILESNCc1cn(Cc2nc3ccccc3n2CCO)nn1
InChIInChI=1S/C13H16N6O/c14-7-10-8-18(17-16-10)9-13-15-11-3-1-2-4-12(11)19(13)5-6-20/h1-4,8,20H,5-7,9,14H2
InChIKeyWRFRBAORTJDETN-UHFFFAOYSA-N
XLogP0.13
TPSA94.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol (CID 115458039) is 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol is NCc1cn(Cc2nc3ccccc3n2CCO)nn1.
What is the InChIKey of 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
The InChIKey is WRFRBAORTJDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-7-10-8-18(17-16-10)9-13-15-11-3-1-2-4-12(11)19(13)5-6-20/h1-4,8,20H,5-7,9,14H2.
What are the key properties of 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol?
2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol has a molecular weight of 272.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 115458039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).