5-imidazol-1-yl-2-nitrobenzamide

C10H8N4O3 — CID 19709767

IUPAC5-imidazol-1-yl-2-nitrobenzamide
SMILESNC(=O)c1cc(-n2ccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O3/c11-10(15)8-5-7(13-4-3-12-6-13)1-2-9(8)14(16)17/h1-6H,(H2,11,15)
InChIKeyPCYBVPICVKQTBI-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.88
Rot. Bonds3

About 5-imidazol-1-yl-2-nitrobenzamide

5-imidazol-1-yl-2-nitrobenzamide (PubChem CID 19709767) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-nitrobenzamide.

Molecular Properties

Compound Name5-imidazol-1-yl-2-nitrobenzamide
PubChem CID19709767
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name5-imidazol-1-yl-2-nitrobenzamide
SMILESNC(=O)c1cc(-n2ccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O3/c11-10(15)8-5-7(13-4-3-12-6-13)1-2-9(8)14(16)17/h1-6H,(H2,11,15)
InChIKeyPCYBVPICVKQTBI-UHFFFAOYSA-N
XLogP0.88
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodo-4-nitrophenyl)imidazole
CID 47278183
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
ethyl 2-(5-imidazol-1-yl-2-nitroanilino)acetate
CID 70196275
1-(3-but-1-ynyl-4-nitrophenyl)imidazole
CID 145051066
2-nitro-5-thiomorpholin-4-ylbenzamide
CID 150818863
1-[4-(3-imidazol-1-yl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 118952426
6-imidazol-1-yl-3-nitropyridin-2-amine
CID 10512423
5-(4-cyclopropylpiperazin-1-yl)-2-nitrobenzamide
CID 151253767
1-(3-carbamoyl-4-nitrophenyl)piperidine-4-carboxylate
CID 7062297
1-(4-imidazol-1-ylphenyl)-2-nitroguanidine
CID 135600877

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-nitrobenzamide?
The IUPAC name of 5-imidazol-1-yl-2-nitrobenzamide (CID 19709767) is 5-imidazol-1-yl-2-nitrobenzamide.
What is the SMILES notation for 5-imidazol-1-yl-2-nitrobenzamide?
The canonical SMILES for 5-imidazol-1-yl-2-nitrobenzamide is NC(=O)c1cc(-n2ccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-imidazol-1-yl-2-nitrobenzamide?
The InChIKey is PCYBVPICVKQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-10(15)8-5-7(13-4-3-12-6-13)1-2-9(8)14(16)17/h1-6H,(H2,11,15).
What are the key properties of 5-imidazol-1-yl-2-nitrobenzamide?
5-imidazol-1-yl-2-nitrobenzamide has a molecular weight of 232.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-nitrobenzamide is sourced from PubChem (CID 19709767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).