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

C24H18N4O5 — CID 102282217

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
SMILESCOc1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1
InChIInChI=1S/C24H18N4O5/c1-33-21-13-2-16(3-14-21)4-15-22-25-23(17-5-9-19(10-6-17)27(29)30)24(26-22)18-7-11-20(12-8-18)28(31)32/h2-15H,1H3,(H,25,26)/b15-4+
InChIKeyGQRXLHIQLJOIJZ-SYZQJQIISA-N
MW442.43 g/mol
LogP5.74
Rot. Bonds7

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

2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole (PubChem CID 102282217) has the molecular formula C24H18N4O5 and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
PubChem CID102282217
Molecular FormulaC24H18N4O5
Molecular Weight442.43 g/mol
Exact Mass442.13
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
SMILESCOc1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1
InChIInChI=1S/C24H18N4O5/c1-33-21-13-2-16(3-14-21)4-15-22-25-23(17-5-9-19(10-6-17)27(29)30)24(26-22)18-7-11-20(12-8-18)28(31)32/h2-15H,1H3,(H,25,26)/b15-4+
InChIKeyGQRXLHIQLJOIJZ-SYZQJQIISA-N
XLogP5.74
TPSA124.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
CID 139680874
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
5-(4-methoxyphenyl)-2-methyl-3-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazol-2-ium tetrafluoroborate
CID 10251734
5-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-6-one
CID 39354303
methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate
CID 91199446
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
CID 134852700
4,5-bis(4-iodophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 177443254
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
3-(4-methoxyphenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6237491

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole (CID 102282217) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole is COc1ccc(/C=C/c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole?
The InChIKey is GQRXLHIQLJOIJZ-SYZQJQIISA-N. The full InChI is InChI=1S/C24H18N4O5/c1-33-21-13-2-16(3-14-21)4-15-22-25-23(17-5-9-19(10-6-17)27(29)30)24(26-22)18-7-11-20(12-8-18)28(31)32/h2-15H,1H3,(H,25,26)/b15-4+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole has a molecular weight of 442.43 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole is sourced from PubChem (CID 102282217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).