4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

C25H24N2O3 — CID 154667056

IUPAC4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C25H24N2O3/c1-15-5-9-17(10-6-15)22-23(18-11-7-16(2)8-12-18)27-25(26-22)19-13-20(29-3)24(28)21(14-19)30-4/h5-14,28H,1-4H3,(H,26,27)
InChIKeyNULLIAYVIAVVPO-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.75
Rot. Bonds5

About 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (PubChem CID 154667056) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
PubChem CID154667056
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C25H24N2O3/c1-15-5-9-17(10-6-15)22-23(18-11-7-16(2)8-12-18)27-25(26-22)19-13-20(29-3)24(28)21(14-19)30-4/h5-14,28H,1-4H3,(H,26,27)
InChIKeyNULLIAYVIAVVPO-UHFFFAOYSA-N
XLogP5.75
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-(5-phenyl-4-(thiophen-2-yl)-1H-imidazol-2-yl)phenol
CID 1131802
4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 1355348
4-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxyphenol
CID 262434
Phenol, 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-
CID 1842049
4-(2,6-Diamino-9H-purin-8-yl)-2,6-dimethoxyphenol
CID 457716
(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 3130545
5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71717474
5-Phenyl-4-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71718679
4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 136006207
4-(4,5-dimethyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 154392110
2,6-dimethoxy-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)phenol
CID 154667057
2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
CID 154667063

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (CID 154667056) is 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1O.
What is the InChIKey of 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The InChIKey is NULLIAYVIAVVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-15-5-9-17(10-6-15)22-23(18-11-7-16(2)8-12-18)27-25(26-22)19-13-20(29-3)24(28)21(14-19)30-4/h5-14,28H,1-4H3,(H,26,27).
What are the key properties of 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol has a molecular weight of 400.48 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 154667056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).