2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide

C12H11N5O5 — CID 2843926

IUPAC2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N5O5/c1-8-13-11(17(21)22)6-15(8)7-12(18)14-9-2-4-10(5-3-9)16(19)20/h2-6H,7H2,1H3,(H,14,18)
InChIKeyXCAHTMBDHNJCIZ-UHFFFAOYSA-N
MW305.25 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide

2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 2843926) has the molecular formula C12H11N5O5 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID2843926
Molecular FormulaC12H11N5O5
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC Name2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N5O5/c1-8-13-11(17(21)22)6-15(8)7-12(18)14-9-2-4-10(5-3-9)16(19)20/h2-6H,7H2,1H3,(H,14,18)
InChIKeyXCAHTMBDHNJCIZ-UHFFFAOYSA-N
XLogP1.65
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide (CID 2843926) is 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide is Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is XCAHTMBDHNJCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O5/c1-8-13-11(17(21)22)6-15(8)7-12(18)14-9-2-4-10(5-3-9)16(19)20/h2-6H,7H2,1H3,(H,14,18).
What are the key properties of 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 305.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitroimidazol-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2843926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).