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

C4H4IN3O2 — CID 135840194

IUPAC2-iodo-4-methyl-5-nitro-1H-imidazole
SMILESCc1nc(I)[nH]c1[N+](=O)[O-]
InChIInChI=1S/C4H4IN3O2/c1-2-3(8(9)10)7-4(5)6-2/h1H3,(H,6,7)
InChIKeyRWTPXGWAPCWEJU-UHFFFAOYSA-N
MW253.00 g/mol
LogP1.23
Rot. Bonds1

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

2-iodo-4-methyl-5-nitro-1H-imidazole (PubChem CID 135840194) has the molecular formula C4H4IN3O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 2-iodo-4-methyl-5-nitro-1H-imidazole.

Molecular Properties

Compound Name2-iodo-4-methyl-5-nitro-1H-imidazole
PubChem CID135840194
Molecular FormulaC4H4IN3O2
Molecular Weight253.00 g/mol
Exact Mass252.93
IUPAC Name2-iodo-4-methyl-5-nitro-1H-imidazole
SMILESCc1nc(I)[nH]c1[N+](=O)[O-]
InChIInChI=1S/C4H4IN3O2/c1-2-3(8(9)10)7-4(5)6-2/h1H3,(H,6,7)
InChIKeyRWTPXGWAPCWEJU-UHFFFAOYSA-N
XLogP1.23
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-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
4,5-dimethyl-2-nitro-1H-imidazole
CID 199884
2,4-Dimethyl-5-nitro-1H-imidazole
CID 135554430
2-Methyl-5-nitro-1H-imidazole-4-carbonitrile
CID 135404417
Imidazole, 2-methyl-5-trifluoromethyl-4-nitro-
CID 135679876
2-Bromo-4-methyl-5-nitro-1H-imidazole
CID 135789694
4-ethyl-2-methyl-5-nitro-1H-imidazole
CID 136006944
Imidazole, 2-trifluoromethyl-5-methyl-4-nitro-
CID 135451983
4-(fluoromethyl)-5-nitro-1H-imidazole
CID 136402050
Imidazole2ethyl4methyl5nitro
CID 135789804
2-Amino-5-methyl-4H-imidazol-4-one oxime
CID 13012264
2-Hydroxyimino-5-imino-4-methyl-3-imidazoline
CID 86106691

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-5-nitro-1H-imidazole?
The IUPAC name of 2-iodo-4-methyl-5-nitro-1H-imidazole (CID 135840194) is 2-iodo-4-methyl-5-nitro-1H-imidazole.
What is the SMILES notation for 2-iodo-4-methyl-5-nitro-1H-imidazole?
The canonical SMILES for 2-iodo-4-methyl-5-nitro-1H-imidazole is Cc1nc(I)[nH]c1[N+](=O)[O-].
What is the InChIKey of 2-iodo-4-methyl-5-nitro-1H-imidazole?
The InChIKey is RWTPXGWAPCWEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O2/c1-2-3(8(9)10)7-4(5)6-2/h1H3,(H,6,7).
What are the key properties of 2-iodo-4-methyl-5-nitro-1H-imidazole?
2-iodo-4-methyl-5-nitro-1H-imidazole has a molecular weight of 253.00 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-5-nitro-1H-imidazole is sourced from PubChem (CID 135840194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).