N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide

C28H26ClN3O3 — CID 132576472

IUPACN-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide
SMILESCOc1cc(/C=C/c2ccc(C(=O)NCC(c3ccc(Cl)cc3)n3ccnc3)cc2)cc(OC)c1
InChIInChI=1S/C28H26ClN3O3/c1-34-25-15-21(16-26(17-25)35-2)4-3-20-5-7-23(8-6-20)28(33)31-18-27(32-14-13-30-19-32)22-9-11-24(29)12-10-22/h3-17,19,27H,18H2,1-2H3,(H,31,33)/b4-3+
InChIKeyLSEAJUAFNWJYTM-ONEGZZNKSA-N
MW487.99 g/mol
LogP5.74
Rot. Bonds9

About N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide

N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide (PubChem CID 132576472) has the molecular formula C28H26ClN3O3 and a molecular weight of 487.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide
PubChem CID132576472
Molecular FormulaC28H26ClN3O3
Molecular Weight487.99 g/mol
Exact Mass487.17
IUPAC NameN-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide
SMILESCOc1cc(/C=C/c2ccc(C(=O)NCC(c3ccc(Cl)cc3)n3ccnc3)cc2)cc(OC)c1
InChIInChI=1S/C28H26ClN3O3/c1-34-25-15-21(16-26(17-25)35-2)4-3-20-5-7-23(8-6-20)28(33)31-18-27(32-14-13-30-19-32)22-9-11-24(29)12-10-22/h3-17,19,27H,18H2,1-2H3,(H,31,33)/b4-3+
InChIKeyLSEAJUAFNWJYTM-ONEGZZNKSA-N
XLogP5.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
CID 53348140
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-(2-imidazol-1-yl-2-phenylethyl)-3-phenylsulfanylbenzamide
CID 53348139
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
propan-2-yl 4-(1-imidazol-1-ylbutyl)benzoate
CID 54557825
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 42414912
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide (CID 132576472) is N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide is COc1cc(/C=C/c2ccc(C(=O)NCC(c3ccc(Cl)cc3)n3ccnc3)cc2)cc(OC)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide?
The InChIKey is LSEAJUAFNWJYTM-ONEGZZNKSA-N. The full InChI is InChI=1S/C28H26ClN3O3/c1-34-25-15-21(16-26(17-25)35-2)4-3-20-5-7-23(8-6-20)28(33)31-18-27(32-14-13-30-19-32)22-9-11-24(29)12-10-22/h3-17,19,27H,18H2,1-2H3,(H,31,33)/b4-3+.
What are the key properties of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide?
N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide has a molecular weight of 487.99 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide is sourced from PubChem (CID 132576472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).