4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol

C24H20N2O3 — CID 129137306

IUPAC4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
SMILESOc1ccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20N2O3/c27-20-7-1-17(2-8-20)23(15-26-14-13-25-16-26)24(18-3-9-21(28)10-4-18)19-5-11-22(29)12-6-19/h1-14,16,27-29H,15H2
InChIKeyRCEHDVHLUQMMMG-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.66
Rot. Bonds5

About 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol

4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol (PubChem CID 129137306) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
PubChem CID129137306
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
SMILESOc1ccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20N2O3/c27-20-7-1-17(2-8-20)23(15-26-14-13-25-16-26)24(18-3-9-21(28)10-4-18)19-5-11-22(29)12-6-19/h1-14,16,27-29H,15H2
InChIKeyRCEHDVHLUQMMMG-UHFFFAOYSA-N
XLogP4.66
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,4-diol
CID 42642718
2,6-Bis(1h-Imidazol-1-Ylmethyl)-4-(2,4,4-Trimethylpentan-2-Yl)phenol
CID 73427242
1-(4-Hydroxybenzyl)imidazole
CID 193822
(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
2-[1-(1H-imidazol-1-yl)vinyl]phenol
CID 2805536
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
4''-(1H-Imidazol-1-yl-propyl)-biphenyl-4-ol
CID 42642716
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3-ol
CID 42642717
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,5-diol
CID 42642719
7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol
CID 44586828
2-Imidazol-1-yl-1-(4-phenoxyphenyl)ethanol
CID 53606

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol (CID 129137306) is 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol is Oc1ccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
The InChIKey is RCEHDVHLUQMMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-20-7-1-17(2-8-20)23(15-26-14-13-25-16-26)24(18-3-9-21(28)10-4-18)19-5-11-22(29)12-6-19/h1-14,16,27-29H,15H2.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol has a molecular weight of 384.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol is sourced from PubChem (CID 129137306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).