1-[2-(4-nitrophenyl)ethyl]imidazole

C11H11N3O2 — CID 3317166

IUPAC1-[2-(4-nitrophenyl)ethyl]imidazole
SMILESO=[N+]([O-])c1ccc(CCn2ccnc2)cc1
InChIInChI=1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
InChIKeyHCPMKJOVCNZGSD-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(4-nitrophenyl)ethyl]imidazole

1-[2-(4-nitrophenyl)ethyl]imidazole (PubChem CID 3317166) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[2-(4-nitrophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-nitrophenyl)ethyl]imidazole
PubChem CID3317166
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[2-(4-nitrophenyl)ethyl]imidazole
SMILESO=[N+]([O-])c1ccc(CCn2ccnc2)cc1
InChIInChI=1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
InChIKeyHCPMKJOVCNZGSD-UHFFFAOYSA-N
XLogP2.03
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
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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Related Compounds

1-Benzylimidazole
CID 77918
2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
CID 201134
3-(1H-Imidazol-1-ylmethyl)aniline
CID 6481821
1-(4-Nitrophenyl)-1H-imidazole
CID 123155
4-(4-Nitrophenyl)-1H-imidazole
CID 910844
1-(4-Nitrobenzyl)-1H-imidazole
CID 585819
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
2-Imidazol-1-yl-1-(4-nitrophenyl)ethanone
CID 53600
Benzonitrile, p-imidazol-1-yl-
CID 135744
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
1-(m-Tolyl)imidazole
CID 520197
1-Trityl-4-nitroimidazole
CID 618227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitrophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-(4-nitrophenyl)ethyl]imidazole (CID 3317166) is 1-[2-(4-nitrophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-nitrophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-nitrophenyl)ethyl]imidazole is O=[N+]([O-])c1ccc(CCn2ccnc2)cc1.
What is the InChIKey of 1-[2-(4-nitrophenyl)ethyl]imidazole?
The InChIKey is HCPMKJOVCNZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2.
What are the key properties of 1-[2-(4-nitrophenyl)ethyl]imidazole?
1-[2-(4-nitrophenyl)ethyl]imidazole has a molecular weight of 217.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitrophenyl)ethyl]imidazole is sourced from PubChem (CID 3317166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).