2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole

C25H24N2O4 — CID 6618129

IUPAC2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3cc(OC)ccc3OC)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C25H24N2O4/c1-28-18-9-5-7-16(13-18)23-24(17-8-6-10-19(14-17)29-2)27-25(26-23)21-15-20(30-3)11-12-22(21)31-4/h5-15H,1-4H3,(H,26,27)
InChIKeyIIVAKWPNQVUUJR-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.45
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole

2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole (PubChem CID 6618129) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
PubChem CID6618129
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3cc(OC)ccc3OC)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C25H24N2O4/c1-28-18-9-5-7-16(13-18)23-24(17-8-6-10-19(14-17)29-2)27-25(26-23)21-15-20(30-3)11-12-22(21)31-4/h5-15H,1-4H3,(H,26,27)
InChIKeyIIVAKWPNQVUUJR-UHFFFAOYSA-N
XLogP5.45
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole (CID 6618129) is 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole is COc1cccc(-c2nc(-c3cc(OC)ccc3OC)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The InChIKey is IIVAKWPNQVUUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-28-18-9-5-7-16(13-18)23-24(17-8-6-10-19(14-17)29-2)27-25(26-23)21-15-20(30-3)11-12-22(21)31-4/h5-15H,1-4H3,(H,26,27).
What are the key properties of 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole has a molecular weight of 416.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 6618129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).