4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole

C27H28N2O6 — CID 56943298

IUPAC4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1ccc(-n2cnc(-c3cc(OC)cc(OC)c3)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C27H28N2O6/c1-30-20-9-7-19(8-10-20)29-16-28-25(17-11-21(31-2)15-22(12-17)32-3)26(29)18-13-23(33-4)27(35-6)24(14-18)34-5/h7-16H,1-6H3
InChIKeyLXJTZZXWROBYFA-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.26
Rot. Bonds9

About 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole

4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole (PubChem CID 56943298) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole
PubChem CID56943298
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC Name4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1ccc(-n2cnc(-c3cc(OC)cc(OC)c3)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C27H28N2O6/c1-30-20-9-7-19(8-10-20)29-16-28-25(17-11-21(31-2)15-22(12-17)32-3)26(29)18-13-23(33-4)27(35-6)24(14-18)34-5/h7-16H,1-6H3
InChIKeyLXJTZZXWROBYFA-UHFFFAOYSA-N
XLogP5.26
TPSA73.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole (CID 56943298) is 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole is COc1ccc(-n2cnc(-c3cc(OC)cc(OC)c3)c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole?
The InChIKey is LXJTZZXWROBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-30-20-9-7-19(8-10-20)29-16-28-25(17-11-21(31-2)15-22(12-17)32-3)26(29)18-13-23(33-4)27(35-6)24(14-18)34-5/h7-16H,1-6H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole?
4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole has a molecular weight of 476.53 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole is sourced from PubChem (CID 56943298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).