1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole

C13H15N3O3 — CID 55238459

IUPAC1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole
SMILESCCOc1cc(-n2ccnc2CC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O3/c1-3-13-14-7-8-15(13)10-5-6-11(16(17)18)12(9-10)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDSZPRGBXTRDXTR-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.74
Rot. Bonds5

About 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole

1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole (PubChem CID 55238459) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole.

Molecular Properties

Compound Name1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole
PubChem CID55238459
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole
SMILESCCOc1cc(-n2ccnc2CC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O3/c1-3-13-14-7-8-15(13)10-5-6-11(16(17)18)12(9-10)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDSZPRGBXTRDXTR-UHFFFAOYSA-N
XLogP2.74
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.74
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

2-ethyl-1-(4-nitro-3-propoxyphenyl)imidazole
CID 63812174
1-(3-ethoxy-4-nitrophenyl)benzimidazole
CID 115885942
1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
CID 11424789
6-(2-ethylimidazol-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473397
4-(2-ethylimidazol-1-yl)-N,N-dimethyl-3-nitrobenzamide
CID 82990561
2-(2-ethylimidazol-1-yl)-5-nitroaniline
CID 55080396
8-(3-ethoxy-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63671678
1-[1-(3-ethoxy-4-nitrophenyl)piperidin-4-yl]-2-ethylbenzimidazole
CID 133445424
3-(3-ethoxy-4-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314574
5-[(3-ethoxy-4-nitrophenoxy)methyl]-1-methyl-1,2,4-triazole
CID 99826098
[1-(3-ethoxy-4-nitrophenyl)piperidin-4-yl]methanol
CID 63677507
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole?
The IUPAC name of 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole (CID 55238459) is 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole.
What is the SMILES notation for 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole?
The canonical SMILES for 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole is CCOc1cc(-n2ccnc2CC)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole?
The InChIKey is DSZPRGBXTRDXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-13-14-7-8-15(13)10-5-6-11(16(17)18)12(9-10)19-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole?
1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole has a molecular weight of 261.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-nitrophenyl)-2-ethylimidazole is sourced from PubChem (CID 55238459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).