2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole

C24H21N3O5 — CID 3135745

IUPAC2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)c1
InChIInChI=1S/C24H21N3O5/c1-30-18-11-16(12-19(14-18)31-2)24-25-22(15-7-5-4-6-8-15)23(26-24)20-13-17(27(28)29)9-10-21(20)32-3/h4-14H,1-3H3,(H,25,26)
InChIKeyZVWNQHUIGMJVMU-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.34
Rot. Bonds7

About 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole

2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole (PubChem CID 3135745) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
PubChem CID3135745
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)c1
InChIInChI=1S/C24H21N3O5/c1-30-18-11-16(12-19(14-18)31-2)24-25-22(15-7-5-4-6-8-15)23(26-24)20-13-17(27(28)29)9-10-21(20)32-3/h4-14H,1-3H3,(H,25,26)
InChIKeyZVWNQHUIGMJVMU-UHFFFAOYSA-N
XLogP5.34
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 1333027
2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 2859398
3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
CID 23988493
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
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 6618129

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole (CID 3135745) is 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole is COc1cc(OC)cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
The InChIKey is ZVWNQHUIGMJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-30-18-11-16(12-19(14-18)31-2)24-25-22(15-7-5-4-6-8-15)23(26-24)20-13-17(27(28)29)9-10-21(20)32-3/h4-14H,1-3H3,(H,25,26).
What are the key properties of 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole?
2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole has a molecular weight of 431.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 3135745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).