4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid

C26H22N2O5 — CID 155167024

IUPAC4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
SMILESCOc1cc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2C2CC2)ccc1C(=O)O
InChIInChI=1S/C26H22N2O5/c1-33-22-14-16(12-13-19(22)26(31)32)28-24(15-10-11-15)23(17-6-2-4-8-20(17)29)27-25(28)18-7-3-5-9-21(18)30/h2-9,12-15,29-30H,10-11H2,1H3,(H,31,32)
InChIKeyCIIHTNGJIUTHRV-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.20
Rot. Bonds6

About 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid

4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid (PubChem CID 155167024) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
PubChem CID155167024
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
SMILESCOc1cc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2C2CC2)ccc1C(=O)O
InChIInChI=1S/C26H22N2O5/c1-33-22-14-16(12-13-19(22)26(31)32)28-24(15-10-11-15)23(17-6-2-4-8-20(17)29)27-25(28)18-7-3-5-9-21(18)30/h2-9,12-15,29-30H,10-11H2,1H3,(H,31,32)
InChIKeyCIIHTNGJIUTHRV-UHFFFAOYSA-N
XLogP5.20
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-hydroxy-4-methoxyphenyl)-2-(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid
CID 155184344
2-methoxy-4-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]benzoic acid
CID 67368083
2-[1-(4-fluoro-3-methoxyphenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]benzoic acid
CID 168860870
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
The IUPAC name of 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid (CID 155167024) is 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid is COc1cc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2C2CC2)ccc1C(=O)O.
What is the InChIKey of 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
The InChIKey is CIIHTNGJIUTHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-33-22-14-16(12-13-19(22)26(31)32)28-24(15-10-11-15)23(17-6-2-4-8-20(17)29)27-25(28)18-7-3-5-9-21(18)30/h2-9,12-15,29-30H,10-11H2,1H3,(H,31,32).
What are the key properties of 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid?
4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid has a molecular weight of 442.47 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-2,4-bis(2-hydroxyphenyl)imidazol-1-yl]-2-methoxybenzoic acid is sourced from PubChem (CID 155167024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).