2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide

C19H18N6O2 — CID 1085014

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C19H18N6O2/c1-11-7-8-12(2)14(9-11)21-16(26)10-25-15-6-4-3-5-13(15)22-19(25)17-18(20)24-27-23-17/h3-9H,10H2,1-2H3,(H2,20,24)(H,21,26)
InChIKeyZZIUCNPNJGQEPV-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 1085014) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID1085014
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C19H18N6O2/c1-11-7-8-12(2)14(9-11)21-16(26)10-25-15-6-4-3-5-13(15)22-19(25)17-18(20)24-27-23-17/h3-9H,10H2,1-2H3,(H2,20,24)(H,21,26)
InChIKeyZZIUCNPNJGQEPV-UHFFFAOYSA-N
XLogP2.92
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 1085014) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZZIUCNPNJGQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-11-7-8-12(2)14(9-11)21-16(26)10-25-15-6-4-3-5-13(15)22-19(25)17-18(20)24-27-23-17/h3-9H,10H2,1-2H3,(H2,20,24)(H,21,26).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1085014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).