2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide

C12H12N6O — CID 55214703

IUPAC2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide
SMILESNc1ccn(CC(=O)Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H12N6O/c13-10-5-6-18(17-10)7-11(19)16-12-14-8-3-1-2-4-9(8)15-12/h1-6H,7H2,(H2,13,17)(H2,14,15,16,19)
InChIKeyGTBCOUNTZVKQQV-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.98
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide

2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide (PubChem CID 55214703) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide
PubChem CID55214703
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide
SMILESNc1ccn(CC(=O)Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H12N6O/c13-10-5-6-18(17-10)7-11(19)16-12-14-8-3-1-2-4-9(8)15-12/h1-6H,7H2,(H2,13,17)(H2,14,15,16,19)
InChIKeyGTBCOUNTZVKQQV-UHFFFAOYSA-N
XLogP0.98
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopyrazol-1-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-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 112528014
2-(3-aminopyrazol-1-yl)-N-quinolin-3-ylacetamide
CID 62112556
N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
CID 60725316
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)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112528053
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
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-(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-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide (CID 55214703) is 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide is Nc1ccn(CC(=O)Nc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide?
The InChIKey is GTBCOUNTZVKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-10-5-6-18(17-10)7-11(19)16-12-14-8-3-1-2-4-9(8)15-12/h1-6H,7H2,(H2,13,17)(H2,14,15,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 55214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).