2-(4-methyl-2-nitrophenyl)-1H-imidazole

C10H9N3O2 — CID 67618498

IUPAC2-(4-methyl-2-nitrophenyl)-1H-imidazole
SMILESCc1ccc(-c2ncc[nH]2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O2/c1-7-2-3-8(9(6-7)13(14)15)10-11-4-5-12-10/h2-6H,1H3,(H,11,12)
InChIKeyAZAFFZAWUQDVKJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.29
Rot. Bonds2

About 2-(4-methyl-2-nitrophenyl)-1H-imidazole

2-(4-methyl-2-nitrophenyl)-1H-imidazole (PubChem CID 67618498) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenyl)-1H-imidazole
PubChem CID67618498
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(4-methyl-2-nitrophenyl)-1H-imidazole
SMILESCc1ccc(-c2ncc[nH]2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O2/c1-7-2-3-8(9(6-7)13(14)15)10-11-4-5-12-10/h2-6H,1H3,(H,11,12)
InChIKeyAZAFFZAWUQDVKJ-UHFFFAOYSA-N
XLogP2.29
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.29
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'}

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Related Compounds

2-[4-(1H-imidazol-2-ylsulfonyl)-2-nitrophenyl]-1H-imidazole
CID 67618442
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579
2-(1H-imidazol-2-yl)-1H-imidazole;bis(2,4,6-trinitrophenol)
CID 71349505
N-(4-methyl-2-nitrophenyl)-1H-imidazole-2-carboxamide
CID 110466542
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
4-methyl-2-nitrophenolate
CID 6989903
5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
CID 174229984
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
sodium 4-methyl-2-nitrophenolate
CID 12989561
1,4-dimethyl-2-nitrobenzene
CID 20849377
6-methyl-1H-benzimidazole;2-nitro-1H-imidazole
CID 159525910
2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 154376206

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenyl)-1H-imidazole?
The IUPAC name of 2-(4-methyl-2-nitrophenyl)-1H-imidazole (CID 67618498) is 2-(4-methyl-2-nitrophenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-methyl-2-nitrophenyl)-1H-imidazole?
The canonical SMILES for 2-(4-methyl-2-nitrophenyl)-1H-imidazole is Cc1ccc(-c2ncc[nH]2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenyl)-1H-imidazole?
The InChIKey is AZAFFZAWUQDVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-2-3-8(9(6-7)13(14)15)10-11-4-5-12-10/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(4-methyl-2-nitrophenyl)-1H-imidazole?
2-(4-methyl-2-nitrophenyl)-1H-imidazole has a molecular weight of 203.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenyl)-1H-imidazole is sourced from PubChem (CID 67618498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).