N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide

C15H12N4O3 — CID 11380905

IUPACN-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1
InChIInChI=1S/C15H12N4O3/c1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(21)22)8-14(13)18-15/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKeyODHOWXQIDMYJBA-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.10
Rot. Bonds3

About N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide

N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide (PubChem CID 11380905) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
PubChem CID11380905
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1
InChIInChI=1S/C15H12N4O3/c1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(21)22)8-14(13)18-15/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKeyODHOWXQIDMYJBA-UHFFFAOYSA-N
XLogP3.10
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]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 N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide (CID 11380905) is N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1.
What is the InChIKey of N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
The InChIKey is ODHOWXQIDMYJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(21)22)8-14(13)18-15/h2-8H,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide has a molecular weight of 296.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 11380905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).