4-[(E)-2-nitroethenyl]-1-tritylimidazole

C24H19N3O2 — CID 11428973

IUPAC4-[(E)-2-nitroethenyl]-1-tritylimidazole
SMILESO=[N+]([O-])/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H19N3O2/c28-27(29)17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H/b17-16+
InChIKeyCYZVEIZDRGVMMR-WUKNDPDISA-N
MW381.44 g/mol
LogP4.97
Rot. Bonds6

About 4-[(E)-2-nitroethenyl]-1-tritylimidazole

4-[(E)-2-nitroethenyl]-1-tritylimidazole (PubChem CID 11428973) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(E)-2-nitroethenyl]-1-tritylimidazole.

Molecular Properties

Compound Name4-[(E)-2-nitroethenyl]-1-tritylimidazole
PubChem CID11428973
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-[(E)-2-nitroethenyl]-1-tritylimidazole
SMILESO=[N+]([O-])/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H19N3O2/c28-27(29)17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H/b17-16+
InChIKeyCYZVEIZDRGVMMR-WUKNDPDISA-N
XLogP4.97
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.97
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-nitroethenyl]-1-tritylimidazole?
The IUPAC name of 4-[(E)-2-nitroethenyl]-1-tritylimidazole (CID 11428973) is 4-[(E)-2-nitroethenyl]-1-tritylimidazole.
What is the SMILES notation for 4-[(E)-2-nitroethenyl]-1-tritylimidazole?
The canonical SMILES for 4-[(E)-2-nitroethenyl]-1-tritylimidazole is O=[N+]([O-])/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-[(E)-2-nitroethenyl]-1-tritylimidazole?
The InChIKey is CYZVEIZDRGVMMR-WUKNDPDISA-N. The full InChI is InChI=1S/C24H19N3O2/c28-27(29)17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H/b17-16+.
What are the key properties of 4-[(E)-2-nitroethenyl]-1-tritylimidazole?
4-[(E)-2-nitroethenyl]-1-tritylimidazole has a molecular weight of 381.44 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-nitroethenyl]-1-tritylimidazole is sourced from PubChem (CID 11428973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).