2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole

C11H11N3O2 — CID 121220339

IUPAC2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1ccc(/C=C/C2=NCCN2)cc1
InChIInChI=1S/C11H11N3O2/c15-14(16)10-4-1-9(2-5-10)3-6-11-12-7-8-13-11/h1-6H,7-8H2,(H,12,13)/b6-3+
InChIKeyWGNKKLNYYFMSQM-ZZXKWVIFSA-N
MW217.23 g/mol
LogP1.61
Rot. Bonds3

About 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole

2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole (PubChem CID 121220339) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole
PubChem CID121220339
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1ccc(/C=C/C2=NCCN2)cc1
InChIInChI=1S/C11H11N3O2/c15-14(16)10-4-1-9(2-5-10)3-6-11-12-7-8-13-11/h1-6H,7-8H2,(H,12,13)/b6-3+
InChIKeyWGNKKLNYYFMSQM-ZZXKWVIFSA-N
XLogP1.61
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.61
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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Related Compounds

(E)-3-(4-nitrophenyl)prop-2-enoic acid;piperazine
CID 54606193
2-[2-(4-nitrophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine
CID 131876734
2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
CID 175851441
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
CID 67879707
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601436

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole (CID 121220339) is 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1ccc(/C=C/C2=NCCN2)cc1.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WGNKKLNYYFMSQM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-14(16)10-4-1-9(2-5-10)3-6-11-12-7-8-13-11/h1-6H,7-8H2,(H,12,13)/b6-3+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole?
2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 217.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 121220339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).