N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C14H16N4O3 — CID 777330

IUPACN-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1
InChIInChI=1S/C14H16N4O3/c1-9-4-5-10(2)12(6-9)16-13(19)8-17-11(3)15-7-14(17)18(20)21/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyJFBOUOPKLKBFGA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.36
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 777330) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID777330
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1
InChIInChI=1S/C14H16N4O3/c1-9-4-5-10(2)12(6-9)16-13(19)8-17-11(3)15-7-14(17)18(20)21/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyJFBOUOPKLKBFGA-UHFFFAOYSA-N
XLogP2.36
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.36
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'}

Analyze N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)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-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 777330) is N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is Cc1ccc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is JFBOUOPKLKBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-4-5-10(2)12(6-9)16-13(19)8-17-11(3)15-7-14(17)18(20)21/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 777330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).