2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide

C16H14N6O — CID 82590372

IUPAC2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
SMILESNC(=O)Cn1c2ccccc2n2c(-c3ccc(N)cc3)nnc12
InChIInChI=1S/C16H14N6O/c17-11-7-5-10(6-8-11)15-19-20-16-21(9-14(18)23)12-3-1-2-4-13(12)22(15)16/h1-8H,9,17H2,(H2,18,23)
InChIKeyUMTCENZBPURZLZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide

2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide (PubChem CID 82590372) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
PubChem CID82590372
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide
SMILESNC(=O)Cn1c2ccccc2n2c(-c3ccc(N)cc3)nnc12
InChIInChI=1S/C16H14N6O/c17-11-7-5-10(6-8-11)15-19-20-16-21(9-14(18)23)12-3-1-2-4-13(12)22(15)16/h1-8H,9,17H2,(H2,18,23)
InChIKeyUMTCENZBPURZLZ-UHFFFAOYSA-N
XLogP1.42
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-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-[1-(3-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanol
CID 82590380
2-[2-(4-aminophenyl)-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl]acetic acid
CID 82588991
2-[4-amino-2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 82067899
2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
CID 2772756
4-benzyl-1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516321
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166836
2-(2-amino-6-oxophenanthridin-5-yl)acetamide
CID 82371136
2-(1-methylsulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl)-N,N-di(propan-2-yl)acetamide
CID 1428946
2-(2-hydroxyindol-1-yl)acetamide
CID 150445707
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
The IUPAC name of 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide (CID 82590372) is 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide is NC(=O)Cn1c2ccccc2n2c(-c3ccc(N)cc3)nnc12.
What is the InChIKey of 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
The InChIKey is UMTCENZBPURZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-11-7-5-10(6-8-11)15-19-20-16-21(9-14(18)23)12-3-1-2-4-13(12)22(15)16/h1-8H,9,17H2,(H2,18,23).
What are the key properties of 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide?
2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetamide is sourced from PubChem (CID 82590372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).