N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide

C27H25N3O2 — CID 118712540

IUPACN-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
SMILESCOc1ccc(/C=C/c2ccc(C(=O)NCC(c3ccccc3)n3ccnc3)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
InChIKeyBKDQKHUOYWGCKF-BQYQJAHWSA-N
MW423.52 g/mol
LogP5.08
Rot. Bonds8

About N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide

N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide (PubChem CID 118712540) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
PubChem CID118712540
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
SMILESCOc1ccc(/C=C/c2ccc(C(=O)NCC(c3ccccc3)n3ccnc3)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
InChIKeyBKDQKHUOYWGCKF-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'}

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Related Compounds

N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide
CID 132576472
N-(2-imidazol-1-yl-2-phenylethyl)-3-phenylsulfanylbenzamide
CID 53348139
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
CID 53348140
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide (CID 118712540) is N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide is COc1ccc(/C=C/c2ccc(C(=O)NCC(c3ccccc3)n3ccnc3)cc2)cc1.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
The InChIKey is BKDQKHUOYWGCKF-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+.
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]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-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide is sourced from PubChem (CID 118712540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).