2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole

C26H19N3O4 — CID 2859398

IUPAC2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1
InChIInChI=1S/C26H19N3O4/c1-32-21-13-12-19(29(30)31)16-20(21)22-14-15-23(33-22)26-27-24(17-8-4-2-5-9-17)25(28-26)18-10-6-3-7-11-18/h2-16H,1H3,(H,27,28)
InChIKeyBWJOOBBTELKYJK-UHFFFAOYSA-N
MW437.46 g/mol
LogP6.59
Rot. Bonds6

About 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole

2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole (PubChem CID 2859398) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
PubChem CID2859398
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1
InChIInChI=1S/C26H19N3O4/c1-32-21-13-12-19(29(30)31)16-20(21)22-14-15-23(33-22)26-27-24(17-8-4-2-5-9-17)25(28-26)18-10-6-3-7-11-18/h2-16H,1H3,(H,27,28)
InChIKeyBWJOOBBTELKYJK-UHFFFAOYSA-N
XLogP6.59
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 3135745
2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 1333027
2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 4921922
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
CID 23988493
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
2-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674056
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 3114182
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole (CID 2859398) is 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole is COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1.
What is the InChIKey of 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
The InChIKey is BWJOOBBTELKYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c1-32-21-13-12-19(29(30)31)16-20(21)22-14-15-23(33-22)26-27-24(17-8-4-2-5-9-17)25(28-26)18-10-6-3-7-11-18/h2-16H,1H3,(H,27,28).
What are the key properties of 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole has a molecular weight of 437.46 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 2859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).