2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole

C35H27N3O4 — CID 4921922

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C35H27N3O4/c1-41-32-22-29(18-21-31(32)42-23-24-8-4-2-5-9-24)35-36-33(27-10-6-3-7-11-27)34(37-35)28-14-12-25(13-15-28)26-16-19-30(20-17-26)38(39)40/h2-22H,23H2,1H3,(H,36,37)
InChIKeyLJUYEUOVWSLYEV-UHFFFAOYSA-N
MW553.62 g/mol
LogP8.57
Rot. Bonds9

About 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole

2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole (PubChem CID 4921922) has the molecular formula C35H27N3O4 and a molecular weight of 553.62 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
PubChem CID4921922
Molecular FormulaC35H27N3O4
Molecular Weight553.62 g/mol
Exact Mass553.20
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C35H27N3O4/c1-41-32-22-29(18-21-31(32)42-23-24-8-4-2-5-9-24)35-36-33(27-10-6-3-7-11-27)34(37-35)28-14-12-25(13-15-28)26-16-19-30(20-17-26)38(39)40/h2-22H,23H2,1H3,(H,36,37)
InChIKeyLJUYEUOVWSLYEV-UHFFFAOYSA-N
XLogP8.57
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.62
LogP ≤ 58.57
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-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
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
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 3135745
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 2859398
3-[5-[4-[4-[2-(3-hydroxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-4-(4-nitrophenyl)-1H-imidazol-2-yl]phenol
CID 135510187
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole (CID 4921922) is 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole is COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
The InChIKey is LJUYEUOVWSLYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O4/c1-41-32-22-29(18-21-31(32)42-23-24-8-4-2-5-9-24)35-36-33(27-10-6-3-7-11-27)34(37-35)28-14-12-25(13-15-28)26-16-19-30(20-17-26)38(39)40/h2-22H,23H2,1H3,(H,36,37).
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole has a molecular weight of 553.62 g/mol, XLogP of 8.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 4921922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).