4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol

C30H33N3O2 — CID 44532995

IUPAC4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol
SMILESCN(C)CCOc1ccc(/C(=C(/CCCn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H33N3O2/c1-32(2)21-22-35-28-16-12-26(13-17-28)30(25-10-14-27(34)15-11-25)29(24-7-4-3-5-8-24)9-6-19-33-20-18-31-23-33/h3-5,7-8,10-18,20,23,34H,6,9,19,21-22H2,1-2H3/b30-29-
InChIKeyMICACQALYOKMNS-FLWNBWAVSA-N
MW467.61 g/mol
LogP5.97
Rot. Bonds11

About 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol

4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol (PubChem CID 44532995) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol
PubChem CID44532995
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol
SMILESCN(C)CCOc1ccc(/C(=C(/CCCn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H33N3O2/c1-32(2)21-22-35-28-16-12-26(13-17-28)30(25-10-14-27(34)15-11-25)29(24-7-4-3-5-8-24)9-6-19-33-20-18-31-23-33/h3-5,7-8,10-18,20,23,34H,6,9,19,21-22H2,1-2H3/b30-29-
InChIKeyMICACQALYOKMNS-FLWNBWAVSA-N
XLogP5.97
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol (CID 44532995) is 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol is CN(C)CCOc1ccc(/C(=C(/CCCn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol?
The InChIKey is MICACQALYOKMNS-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-32(2)21-22-35-28-16-12-26(13-17-28)30(25-10-14-27(34)15-11-25)29(24-7-4-3-5-8-24)9-6-19-33-20-18-31-23-33/h3-5,7-8,10-18,20,23,34H,6,9,19,21-22H2,1-2H3/b30-29-.
What are the key properties of 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol?
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol has a molecular weight of 467.61 g/mol, XLogP of 5.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-imidazol-1-yl-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 44532995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).