2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole

C23H28N2O2 — CID 57426288

IUPAC2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCCCCCCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C23H28N2O2/c1-4-5-6-7-8-21-24-22(17-9-13-19(26-2)14-10-17)23(25-21)18-11-15-20(27-3)16-12-18/h9-16H,4-8H2,1-3H3,(H,24,25)
InChIKeyGUMFQJXMUNOZEP-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.88
Rot. Bonds9

About 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole

2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole (PubChem CID 57426288) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
PubChem CID57426288
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCCCCCCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C23H28N2O2/c1-4-5-6-7-8-21-24-22(17-9-13-19(26-2)14-10-17)23(25-21)18-11-15-20(27-3)16-12-18/h9-16H,4-8H2,1-3H3,(H,24,25)
InChIKeyGUMFQJXMUNOZEP-UHFFFAOYSA-N
XLogP5.88
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole
CID 59109639
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-[5-(3-methoxypropoxy)pentyl]-4,5-diphenyl-1H-imidazole
CID 91394090
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole
CID 57426311
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
2-[4-(3-ethoxypropoxy)butyl]-4,5-diphenyl-1H-imidazole
CID 90967787
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-[3-(methoxymethoxy)propyl]-4,5-diphenyl-1H-imidazole
CID 91365259
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole (CID 57426288) is 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole is CCCCCCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1.
What is the InChIKey of 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The InChIKey is GUMFQJXMUNOZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-5-6-7-8-21-24-22(17-9-13-19(26-2)14-10-17)23(25-21)18-11-15-20(27-3)16-12-18/h9-16H,4-8H2,1-3H3,(H,24,25).
What are the key properties of 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole?
2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole has a molecular weight of 364.49 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 57426288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).