1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone

C11H11N7O — CID 112527378

IUPAC1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone
SMILESNc1ccc2c(c1)ncn2C(=O)Cn1cc(N)nn1
InChIInChI=1S/C11H11N7O/c12-7-1-2-9-8(3-7)14-6-18(9)11(19)5-17-4-10(13)15-16-17/h1-4,6H,5,12-13H2
InChIKeyAXRSQRWMFDIKNU-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.13
Rot. Bonds2

About 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone

1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone (PubChem CID 112527378) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone
PubChem CID112527378
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone
SMILESNc1ccc2c(c1)ncn2C(=O)Cn1cc(N)nn1
InChIInChI=1S/C11H11N7O/c12-7-1-2-9-8(3-7)14-6-18(9)11(19)5-17-4-10(13)15-16-17/h1-4,6H,5,12-13H2
InChIKeyAXRSQRWMFDIKNU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-aminobenzimidazol-1-yl)-2-(oxetan-3-yl)ethanone
CID 112527357
N-[2-[2-(5-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527421
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide
CID 106240233
2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 112523866
ethyl N-[1-[2-(6-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523760
methyl 2-(5-aminobenzimidazol-1-yl)-3-methylbutanoate
CID 62508395
N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112523008
3-(5-aminobenzimidazol-1-yl)propan-1-ol
CID 6504205
2-(6-aminobenzotriazol-1-yl)acetic acid
CID 83681383
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
1-(2-methylpentan-3-yl)benzimidazol-5-amine
CID 62506261

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone?
The IUPAC name of 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone (CID 112527378) is 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone?
The canonical SMILES for 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone is Nc1ccc2c(c1)ncn2C(=O)Cn1cc(N)nn1.
What is the InChIKey of 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone?
The InChIKey is AXRSQRWMFDIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c12-7-1-2-9-8(3-7)14-6-18(9)11(19)5-17-4-10(13)15-16-17/h1-4,6H,5,12-13H2.
What are the key properties of 1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone?
1-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-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-(5-aminobenzimidazol-1-yl)-2-(4-aminotriazol-1-yl)ethanone is sourced from PubChem (CID 112527378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).