4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide

C13H14N4O3 — CID 75385704

IUPAC4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide
SMILESCCc1ccc(C(=O)Nc2ncc(C)[nH]2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-3-9-4-5-10(6-11(9)17(19)20)12(18)16-13-14-7-8(2)15-13/h4-7H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeySVWWLNSYOMNUOQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.44
Rot. Bonds4

About 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide

4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide (PubChem CID 75385704) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide
PubChem CID75385704
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide
SMILESCCc1ccc(C(=O)Nc2ncc(C)[nH]2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-3-9-4-5-10(6-11(9)17(19)20)12(18)16-13-14-7-8(2)15-13/h4-7H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeySVWWLNSYOMNUOQ-UHFFFAOYSA-N
XLogP2.44
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.44
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'}

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Related Compounds

4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
4-ethyl-N-[2-(ethylaminomethyl)phenyl]-3-nitrobenzamide
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4-ethyl-3-nitrobenzamide
CID 57169483
ethyl 4-ethyl-3-nitrobenzoate
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4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
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4-ethyl-3-nitro-N-(3-phosphanylpropyl)benzamide;hydrobromide
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3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
4-ethyl-N-(1-hydroxy-2-methylpentan-2-yl)-3-nitrobenzamide
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4-[(4-ethyl-3-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 119203738
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
4-chloro-1-(4-ethyl-3-nitrophenyl)butan-1-one
CID 94271537
ethyl 2-[(4-nitrobenzoyl)amino]-6-oxo-1H-pyrimidine-5-carboxylate
CID 23763029

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide?
The IUPAC name of 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide (CID 75385704) is 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide?
The canonical SMILES for 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide is CCc1ccc(C(=O)Nc2ncc(C)[nH]2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide?
The InChIKey is SVWWLNSYOMNUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-9-4-5-10(6-11(9)17(19)20)12(18)16-13-14-7-8(2)15-13/h4-7H,3H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide?
4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide has a molecular weight of 274.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-methyl-1H-imidazol-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 75385704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).