2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol

C28H22N2O3 — CID 136716731

IUPAC2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol
SMILESCc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1
InChIInChI=1S/C28H22N2O3/c1-18-14-16-19(17-15-18)30-27(21-9-3-6-12-24(21)32)26(20-8-2-5-11-23(20)31)29-28(30)22-10-4-7-13-25(22)33/h2-17,31-33H,1H3
InChIKeyNJUXJGOUYGYKJI-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.30
Rot. Bonds4

About 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol

2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol (PubChem CID 136716731) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol
PubChem CID136716731
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol
SMILESCc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1
InChIInChI=1S/C28H22N2O3/c1-18-14-16-19(17-15-18)30-27(21-9-3-6-12-24(21)32)26(20-8-2-5-11-23(20)31)29-28(30)22-10-4-7-13-25(22)33/h2-17,31-33H,1H3
InChIKeyNJUXJGOUYGYKJI-UHFFFAOYSA-N
XLogP6.30
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol?
The IUPAC name of 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol (CID 136716731) is 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol.
What is the SMILES notation for 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol?
The canonical SMILES for 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol is Cc1ccc(-n2c(-c3ccccc3O)nc(-c3ccccc3O)c2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol?
The InChIKey is NJUXJGOUYGYKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-18-14-16-19(17-15-18)30-27(21-9-3-6-12-24(21)32)26(20-8-2-5-11-23(20)31)29-28(30)22-10-4-7-13-25(22)33/h2-17,31-33H,1H3.
What are the key properties of 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol?
2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol has a molecular weight of 434.50 g/mol, XLogP of 6.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol is sourced from PubChem (CID 136716731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).