1-(2-methoxy-4-nitrophenyl)imidazole

C10H9N3O3 — CID 22459644

IUPAC1-(2-methoxy-4-nitrophenyl)imidazole
SMILESCOc1cc([N+](=O)[O-])ccc1-n1ccnc1
InChIInChI=1S/C10H9N3O3/c1-16-10-6-8(13(14)15)2-3-9(10)12-5-4-11-7-12/h2-7H,1H3
InChIKeyRCHPLYXDHICZAF-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-methoxy-4-nitrophenyl)imidazole

1-(2-methoxy-4-nitrophenyl)imidazole (PubChem CID 22459644) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)imidazole
PubChem CID22459644
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name1-(2-methoxy-4-nitrophenyl)imidazole
SMILESCOc1cc([N+](=O)[O-])ccc1-n1ccnc1
InChIInChI=1S/C10H9N3O3/c1-16-10-6-8(13(14)15)2-3-9(10)12-5-4-11-7-12/h2-7H,1H3
InChIKeyRCHPLYXDHICZAF-UHFFFAOYSA-N
XLogP1.79
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.79
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-(2-bromo-4-nitrophenyl)imidazole
CID 1475101
4-(difluoromethyl)-1-(2-methoxy-4-nitrophenyl)imidazole
CID 66859203
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
CID 121114108
(2-methoxyphenyl) 4-imidazol-1-yl-3-nitrobenzoate
CID 51149619
(3S,4S)-1-(2-methoxy-4-nitrophenyl)pyrrolidine-3,4-diol
CID 58386081
3-(2-methoxy-4-nitrophenyl)imidazolidine-2,4-dione
CID 107842288
3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
CID 59410145
(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-methoxy-4-nitrobenzenethiol
CID 22148741

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)imidazole?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)imidazole (CID 22459644) is 1-(2-methoxy-4-nitrophenyl)imidazole.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)imidazole?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)imidazole is COc1cc([N+](=O)[O-])ccc1-n1ccnc1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)imidazole?
The InChIKey is RCHPLYXDHICZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-10-6-8(13(14)15)2-3-9(10)12-5-4-11-7-12/h2-7H,1H3.
What are the key properties of 1-(2-methoxy-4-nitrophenyl)imidazole?
1-(2-methoxy-4-nitrophenyl)imidazole has a molecular weight of 219.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)imidazole is sourced from PubChem (CID 22459644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).