4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol

C26H25N3O2 — CID 118735373

IUPAC4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
SMILESNCCOc1ccc(/C(=C(\Cn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H25N3O2/c27-14-17-31-24-12-8-22(9-13-24)26(21-6-10-23(30)11-7-21)25(18-29-16-15-28-19-29)20-4-2-1-3-5-20/h1-13,15-16,19,30H,14,17-18,27H2/b26-25+
InChIKeyOGGUDPCKGYFJRT-OCEACIFDSA-N
MW411.51 g/mol
LogP4.59
Rot. Bonds8

About 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol

4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol (PubChem CID 118735373) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
PubChem CID118735373
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
SMILESNCCOc1ccc(/C(=C(\Cn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H25N3O2/c27-14-17-31-24-12-8-22(9-13-24)26(21-6-10-23(30)11-7-21)25(18-29-16-15-28-19-29)20-4-2-1-3-5-20/h1-13,15-16,19,30H,14,17-18,27H2/b26-25+
InChIKeyOGGUDPCKGYFJRT-OCEACIFDSA-N
XLogP4.59
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Skf 96365
CID 104955
SKF-96365 free base
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1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
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1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
CID 463277
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
2-Imidazol-1-yl-1-(4-phenoxyphenyl)ethanol
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1-[2-(4-Benzylphenoxy)ethyl]-1H-imidazole
CID 2994178
4-Imidazol-1-yl-1-(4-methoxyphenyl)butan-2-ol
CID 20282392
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
CID 129137244
4-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
CID 129137246
4-[1-(4-Hydroxyphenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
CID 129137293

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol (CID 118735373) is 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol is NCCOc1ccc(/C(=C(\Cn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol?
The InChIKey is OGGUDPCKGYFJRT-OCEACIFDSA-N. The full InChI is InChI=1S/C26H25N3O2/c27-14-17-31-24-12-8-22(9-13-24)26(21-6-10-23(30)11-7-21)25(18-29-16-15-28-19-29)20-4-2-1-3-5-20/h1-13,15-16,19,30H,14,17-18,27H2/b26-25+.
What are the key properties of 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol?
4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol has a molecular weight of 411.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol is sourced from PubChem (CID 118735373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).