1-(3-methoxy-4-nitrophenyl)-2-methylimidazole

C11H11N3O3 — CID 11424789

IUPAC1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
SMILESCOc1cc(-n2ccnc2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-8-12-5-6-13(8)9-3-4-10(14(15)16)11(7-9)17-2/h3-7H,1-2H3
InChIKeyOBPJOMZOOHVVCL-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole

1-(3-methoxy-4-nitrophenyl)-2-methylimidazole (PubChem CID 11424789) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
PubChem CID11424789
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
SMILESCOc1cc(-n2ccnc2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-8-12-5-6-13(8)9-3-4-10(14(15)16)11(7-9)17-2/h3-7H,1-2H3
InChIKeyOBPJOMZOOHVVCL-UHFFFAOYSA-N
XLogP2.10
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
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'}

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Related Compounds

1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole
CID 55238459
2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
2-ethyl-1-(4-nitro-3-propoxyphenyl)imidazole
CID 63812174
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
4,5-dibromo-2-(3-methoxy-4-nitrophenyl)triazole
CID 154676900
1-(3-methoxy-4-nitrophenyl)-1,2,4-triazole
CID 58748366
[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395715
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 65249752
4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole
CID 63677500
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole?
The IUPAC name of 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole (CID 11424789) is 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole.
What is the SMILES notation for 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole?
The canonical SMILES for 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole is COc1cc(-n2ccnc2C)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole?
The InChIKey is OBPJOMZOOHVVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-8-12-5-6-13(8)9-3-4-10(14(15)16)11(7-9)17-2/h3-7H,1-2H3.
What are the key properties of 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole?
1-(3-methoxy-4-nitrophenyl)-2-methylimidazole has a molecular weight of 233.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nitrophenyl)-2-methylimidazole is sourced from PubChem (CID 11424789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).