4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid

C24H20N2O6 — CID 155184344

IUPAC4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
SMILESCOc1ccc(-c2cn(-c3ccc(C(=O)O)c(OC)c3)c(-c3ccccc3O)n2)c(O)c1
InChIInChI=1S/C24H20N2O6/c1-31-15-8-10-16(21(28)12-15)19-13-26(23(25-19)17-5-3-4-6-20(17)27)14-7-9-18(24(29)30)22(11-14)32-2/h3-13,27-28H,1-2H3,(H,29,30)
InChIKeyMQDMSHZXEXJAMT-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.33
Rot. Bonds6

About 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid

4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid (PubChem CID 155184344) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
PubChem CID155184344
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
SMILESCOc1ccc(-c2cn(-c3ccc(C(=O)O)c(OC)c3)c(-c3ccccc3O)n2)c(O)c1
InChIInChI=1S/C24H20N2O6/c1-31-15-8-10-16(21(28)12-15)19-13-26(23(25-19)17-5-3-4-6-20(17)27)14-7-9-18(24(29)30)22(11-14)32-2/h3-13,27-28H,1-2H3,(H,29,30)
InChIKeyMQDMSHZXEXJAMT-UHFFFAOYSA-N
XLogP4.33
TPSA114.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
CID 71614056
4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
CID 155167024
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid
CID 155184289
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
5-(2-hydroxy-4-methoxybenzoyl)-1-phenylpyridin-2-one
CID 44817921

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
The IUPAC name of 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid (CID 155184344) is 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid is COc1ccc(-c2cn(-c3ccc(C(=O)O)c(OC)c3)c(-c3ccccc3O)n2)c(O)c1.
What is the InChIKey of 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
The InChIKey is MQDMSHZXEXJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-31-15-8-10-16(21(28)12-15)19-13-26(23(25-19)17-5-3-4-6-20(17)27)14-7-9-18(24(29)30)22(11-14)32-2/h3-13,27-28H,1-2H3,(H,29,30).
What are the key properties of 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid has a molecular weight of 432.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid is sourced from PubChem (CID 155184344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).