2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole

C29H32N2O — CID 4148530

IUPAC2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C29H32N2O/c1-2-3-4-5-6-13-22-32-26-20-18-25(19-21-26)29-30-27(23-14-9-7-10-15-23)28(31-29)24-16-11-8-12-17-24/h7-12,14-21H,2-6,13,22H2,1H3,(H,30,31)
InChIKeyLOZQORUJFOFLEZ-UHFFFAOYSA-N
MW424.59 g/mol
LogP8.15
Rot. Bonds11

About 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole

2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 4148530) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
PubChem CID4148530
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C29H32N2O/c1-2-3-4-5-6-13-22-32-26-20-18-25(19-21-26)29-30-27(23-14-9-7-10-15-23)28(31-29)24-16-11-8-12-17-24/h7-12,14-21H,2-6,13,22H2,1H3,(H,30,31)
InChIKeyLOZQORUJFOFLEZ-UHFFFAOYSA-N
XLogP8.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl] dodecanoate
CID 86166353
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
1-pentoxy-4-phenylbenzene
CID 7021155
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
2-[4-[2-[4-[4,5-bis[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-2-yl]phenyl]-4-[4-[2-(dodecylamino)-2-oxoethoxy]phenyl]-1H-imidazol-5-yl]phenoxy]-N-dodecylacetamide
CID 102396045
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
octyl 2-(4,5-diphenyl-1H-imidazol-2-yl)acetate
CID 54186770
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole (CID 4148530) is 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole is CCCCCCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is LOZQORUJFOFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-2-3-4-5-6-13-22-32-26-20-18-25(19-21-26)29-30-27(23-14-9-7-10-15-23)28(31-29)24-16-11-8-12-17-24/h7-12,14-21H,2-6,13,22H2,1H3,(H,30,31).
What are the key properties of 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole?
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 424.59 g/mol, XLogP of 8.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 4148530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).