2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide

C11H11N7O — CID 112528014

IUPAC2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H11N7O/c12-9-5-13-18(17-9)6-10(19)16-11-14-7-3-1-2-4-8(7)15-11/h1-5H,6H2,(H2,12,17)(H2,14,15,16,19)
InChIKeyWXNPGMYEFKTFMD-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.38
Rot. Bonds3

About 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide

2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide (PubChem CID 112528014) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
PubChem CID112528014
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H11N7O/c12-9-5-13-18(17-9)6-10(19)16-11-14-7-3-1-2-4-8(7)15-11/h1-5H,6H2,(H2,12,17)(H2,14,15,16,19)
InChIKeyWXNPGMYEFKTFMD-UHFFFAOYSA-N
XLogP0.38
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 55214703
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112528053
2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520689
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044493
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53367843
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(1H-benzimidazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 24508854
N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7999180
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide (CID 112528014) is 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide is Nc1cnn(CC(=O)Nc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide?
The InChIKey is WXNPGMYEFKTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c12-9-5-13-18(17-9)6-10(19)16-11-14-7-3-1-2-4-8(7)15-11/h1-5H,6H2,(H2,12,17)(H2,14,15,16,19).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide?
2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide has a molecular weight of 257.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 112528014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).