N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide

C27H25N3O2 — CID 132576471

IUPACN-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C27H25N3O2/c1-32-25-15-13-23(14-16-25)26(30-18-17-28-20-30)19-29-27(31)24-11-9-22(10-12-24)8-7-21-5-3-2-4-6-21/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
InChIKeyBMXAFZUXKDHTEC-BQYQJAHWSA-N
MW423.52 g/mol
LogP5.08
Rot. Bonds8

About N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide

N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide (PubChem CID 132576471) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide.

Molecular Properties

Compound NameN-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide
PubChem CID132576471
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C27H25N3O2/c1-32-25-15-13-23(14-16-25)26(30-18-17-28-20-30)19-29-27(31)24-11-9-22(10-12-24)8-7-21-5-3-2-4-6-21/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
InChIKeyBMXAFZUXKDHTEC-BQYQJAHWSA-N
XLogP5.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[cis-3-(Acetylamino)cyclobutyl]-1h-Imidazol-4-Yl}-2-(4-Methoxyphenyl)acetamide
CID 44186774
N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
Azole, 9
CID 11704652
Azole, 11
CID 53348140
N-(3-imidazol-1-ylpropyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3807441
4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 9360204
2-ethoxy-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931168
N-[(Z)-2-Furan-2-yl-1-(3-imidazol-1-yl-propylcarbamoyl)-vinyl]-4-methoxy-benzamide
CID 12005525
N-(1-cyclopentylimidazol-4-yl)-2-(4-methoxyphenyl)acetamide
CID 9966077
4-(2-Imidazol-1-yl-ethoxy)-N-methyl-benzamide
CID 13569196
1-[2-(4-Acetylcarbamoylphenoxy)ethyl]imidazole
CID 13569200

Frequently Asked Questions

What is the IUPAC name of N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide?
The IUPAC name of N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide (CID 132576471) is N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide.
What is the SMILES notation for N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide?
The canonical SMILES for N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide is COc1ccc(C(CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1.
What is the InChIKey of N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide?
The InChIKey is BMXAFZUXKDHTEC-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-32-25-15-13-23(14-16-25)26(30-18-17-28-20-30)19-29-27(31)24-11-9-22(10-12-24)8-7-21-5-3-2-4-6-21/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+.
What are the key properties of N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide?
N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imidazol-1-yl-2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]benzamide is sourced from PubChem (CID 132576471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).