N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide

C8H12N4O3 — CID 12720381

IUPACN-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C8H12N4O3/c1-6-10-5-8(12(14)15)11(6)4-3-9-7(2)13/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyQNSODODCRAJNSK-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.24
Rot. Bonds4

About N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide

N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide (PubChem CID 12720381) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide
PubChem CID12720381
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C8H12N4O3/c1-6-10-5-8(12(14)15)11(6)4-3-9-7(2)13/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyQNSODODCRAJNSK-UHFFFAOYSA-N
XLogP0.24
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.24
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-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carnidazole
CID 3032998
Dtp-348
CID 57413968
N-Cyclopentyl-2-(2-methyl-5-nitro-imidazol-1-yl)-acetamide
CID 672156
N-methyl-5-nitro-1H-imidazole-2-carboxamide
CID 134157464
1-(2-Aminoethyl)-2-methyl-5-nitroimidazole
CID 2724233
amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate
CID 91937185
1-(2-Aminoethyl)-2-methyl-5-nitroimidazole dihydrochloride
CID 12222573
N-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
N-cycloheptyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 6456882
N,N,1-trimethyl-5-nitroimidazole-2-carboxamide
CID 125500274
N,N-dimethyl-5-nitro-1H-imidazole-2-carboxamide
CID 134132749
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide (CID 12720381) is N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide is CC(=O)NCCn1c([N+](=O)[O-])cnc1C.
What is the InChIKey of N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide?
The InChIKey is QNSODODCRAJNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-6-10-5-8(12(14)15)11(6)4-3-9-7(2)13/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide?
N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide has a molecular weight of 212.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 12720381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).