2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole

C11H11N3O3 — CID 135671327

IUPAC2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole
SMILESCOc1ccc(-c2nc(C)c([N+](=O)[O-])[nH]2)cc1
InChIInChI=1S/C11H11N3O3/c1-7-11(14(15)16)13-10(12-7)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,12,13)
InChIKeyHDJLXMGBDUUVAP-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole

2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole (PubChem CID 135671327) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole
PubChem CID135671327
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole
SMILESCOc1ccc(-c2nc(C)c([N+](=O)[O-])[nH]2)cc1
InChIInChI=1S/C11H11N3O3/c1-7-11(14(15)16)13-10(12-7)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,12,13)
InChIKeyHDJLXMGBDUUVAP-UHFFFAOYSA-N
XLogP2.30
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole (CID 135671327) is 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole is COc1ccc(-c2nc(C)c([N+](=O)[O-])[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole?
The InChIKey is HDJLXMGBDUUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-11(14(15)16)13-10(12-7)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole?
2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole has a molecular weight of 233.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-5-nitro-1H-imidazole is sourced from PubChem (CID 135671327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).