2-ethyl-4-methyl-5-nitro-1H-imidazole

C6H9N3O2 — CID 135789804

IUPAC2-ethyl-4-methyl-5-nitro-1H-imidazole
SMILESCCc1nc(C)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H9N3O2/c1-3-5-7-4(2)6(8-5)9(10)11/h3H2,1-2H3,(H,7,8)
InChIKeyJHASIKUMVFLWKY-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.19
Rot. Bonds2

About 2-ethyl-4-methyl-5-nitro-1H-imidazole

2-ethyl-4-methyl-5-nitro-1H-imidazole (PubChem CID 135789804) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-nitro-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-nitro-1H-imidazole
PubChem CID135789804
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-ethyl-4-methyl-5-nitro-1H-imidazole
SMILESCCc1nc(C)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H9N3O2/c1-3-5-7-4(2)6(8-5)9(10)11/h3H2,1-2H3,(H,7,8)
InChIKeyJHASIKUMVFLWKY-UHFFFAOYSA-N
XLogP1.19
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-4-methyl-5-nitro-1H-imidazole 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

4-Methyl-5-nitroimidazole
CID 86278103
2,4,5-Trimethylimidazole
CID 69976
2,4-Dimethyl-5-nitro-1H-imidazole
CID 135554430
4,5-dimethyl-2-nitro-1H-imidazole
CID 199884
1,2,4-Trimethyl-5-nitroimidazole
CID 146466
2-Bromo-4-methyl-5-nitro-1H-imidazole
CID 135789694
2-Methyl-5-nitro-1H-imidazole-4-carbonitrile
CID 135404417
Imidazole, 2-methyl-5-trifluoromethyl-4-nitro-
CID 135679876
4-ethyl-2-methyl-5-nitro-1H-imidazole
CID 136006944
2-(2-methyl-5-nitro-1H-imidazol-4-yl)ethanamine
CID 136366022
Imidazole, 2-trifluoromethyl-5-methyl-4-nitro-
CID 135451983
4-(fluoromethyl)-5-nitro-1H-imidazole
CID 136402050

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-nitro-1H-imidazole?
The IUPAC name of 2-ethyl-4-methyl-5-nitro-1H-imidazole (CID 135789804) is 2-ethyl-4-methyl-5-nitro-1H-imidazole.
What is the SMILES notation for 2-ethyl-4-methyl-5-nitro-1H-imidazole?
The canonical SMILES for 2-ethyl-4-methyl-5-nitro-1H-imidazole is CCc1nc(C)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-5-nitro-1H-imidazole?
The InChIKey is JHASIKUMVFLWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-5-7-4(2)6(8-5)9(10)11/h3H2,1-2H3,(H,7,8).
What are the key properties of 2-ethyl-4-methyl-5-nitro-1H-imidazole?
2-ethyl-4-methyl-5-nitro-1H-imidazole has a molecular weight of 155.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-nitro-1H-imidazole is sourced from PubChem (CID 135789804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).