2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide

C13H14N4O3 — CID 753317

IUPAC2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C13H14N4O3/c1-9-5-3-4-6-11(9)15-12(18)8-16-10(2)14-7-13(16)17(19)20/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyDYEUDFNQRMEAEE-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide

2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 753317) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID753317
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C13H14N4O3/c1-9-5-3-4-6-11(9)15-12(18)8-16-10(2)14-7-13(16)17(19)20/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyDYEUDFNQRMEAEE-UHFFFAOYSA-N
XLogP2.05
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide (CID 753317) is 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C.
What is the InChIKey of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is DYEUDFNQRMEAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-5-3-4-6-11(9)15-12(18)8-16-10(2)14-7-13(16)17(19)20/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide?
2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 753317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).