4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol

C24H21N3O2 — CID 129137294

IUPAC4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
SMILESNc1cccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C24H21N3O2/c25-20-3-1-2-19(14-20)23(15-27-13-12-26-16-27)24(17-4-8-21(28)9-5-17)18-6-10-22(29)11-7-18/h1-14,16,28-29H,15,25H2
InChIKeyDCFLINACHXVWHP-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.54
Rot. Bonds5

About 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol

4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol (PubChem CID 129137294) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
PubChem CID129137294
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
SMILESNc1cccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C24H21N3O2/c25-20-3-1-2-19(14-20)23(15-27-13-12-26-16-27)24(17-4-8-21(28)9-5-17)18-6-10-22(29)11-7-18/h1-14,16,28-29H,15,25H2
InChIKeyDCFLINACHXVWHP-UHFFFAOYSA-N
XLogP4.54
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol?
The IUPAC name of 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol (CID 129137294) is 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol.
What is the SMILES notation for 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol?
The canonical SMILES for 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol is Nc1cccc(C(Cn2ccnc2)=C(c2ccc(O)cc2)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol?
The InChIKey is DCFLINACHXVWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-20-3-1-2-19(14-20)23(15-27-13-12-26-16-27)24(17-4-8-21(28)9-5-17)18-6-10-22(29)11-7-18/h1-14,16,28-29H,15,25H2.
What are the key properties of 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol?
4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol has a molecular weight of 383.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol is sourced from PubChem (CID 129137294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).