2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole

C11H9N3O2 — CID 175851441

IUPAC2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1ccc(C=Cc2ncc[nH]2)cc1
InChIInChI=1S/C11H9N3O2/c15-14(16)10-4-1-9(2-5-10)3-6-11-12-7-8-13-11/h1-8H,(H,12,13)
InChIKeyFCPBHTMHIYFKHM-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.49
Rot. Bonds3

About 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole

2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole (PubChem CID 175851441) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
PubChem CID175851441
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1ccc(C=Cc2ncc[nH]2)cc1
InChIInChI=1S/C11H9N3O2/c15-14(16)10-4-1-9(2-5-10)3-6-11-12-7-8-13-11/h1-8H,(H,12,13)
InChIKeyFCPBHTMHIYFKHM-UHFFFAOYSA-N
XLogP2.49
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
CID 67879707
(E)-1-(2-hydroxy-5-nitrophenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
CID 18782955
2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
CID 23274017
4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium
CID 102403490
5-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-6-one
CID 39354303
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 121220339
1-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 101089692
2-(4-nitrophenoxy)-1H-imidazole
CID 123256128
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole?
The IUPAC name of 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole (CID 175851441) is 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole is O=[N+]([O-])c1ccc(C=Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole?
The InChIKey is FCPBHTMHIYFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-14(16)10-4-1-9(2-5-10)3-6-11-12-7-8-13-11/h1-8H,(H,12,13).
What are the key properties of 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole?
2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole has a molecular weight of 215.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 175851441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).