1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone

C11H11N7O — CID 112528013

IUPAC1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
SMILESNc1cnn(CC(=O)n2c(N)nc3ccccc32)n1
InChIInChI=1S/C11H11N7O/c12-9-5-14-17(16-9)6-10(19)18-8-4-2-1-3-7(8)15-11(18)13/h1-5H,6H2,(H2,12,16)(H2,13,15)
InChIKeyVWAFSQWSQMXXQS-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.13
Rot. Bonds2

About 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone

1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone (PubChem CID 112528013) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
PubChem CID112528013
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
SMILESNc1cnn(CC(=O)n2c(N)nc3ccccc32)n1
InChIInChI=1S/C11H11N7O/c12-9-5-14-17(16-9)6-10(19)18-8-4-2-1-3-7(8)15-11(18)13/h1-5H,6H2,(H2,12,16)(H2,13,15)
InChIKeyVWAFSQWSQMXXQS-UHFFFAOYSA-N
XLogP0.13
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
2-aminobenzimidazole-1-carboxylic acid
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1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
2-amino-N-ethylbenzimidazole-1-carboxamide
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(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
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N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527152
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765
(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112528084
1-(pyrrolidine-1-carboximidoyl)benzimidazol-2-amine
CID 12999121
1-(2-aminobenzimidazol-1-yl)hexa-2,4-dien-1-one
CID 54137227
N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112527657

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone?
The IUPAC name of 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone (CID 112528013) is 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone?
The canonical SMILES for 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone is Nc1cnn(CC(=O)n2c(N)nc3ccccc32)n1.
What is the InChIKey of 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone?
The InChIKey is VWAFSQWSQMXXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c12-9-5-14-17(16-9)6-10(19)18-8-4-2-1-3-7(8)15-11(18)13/h1-5H,6H2,(H2,12,16)(H2,13,15).
What are the key properties of 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone?
1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone has a molecular weight of 257.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone is sourced from PubChem (CID 112528013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).