N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide

C18H23N3O — CID 59864516

IUPACN-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
SMILESCCC/C=C/c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H23N3O/c1-2-3-4-6-16-7-9-17(10-8-16)18(22)20-11-5-13-21-14-12-19-15-21/h4,6-10,12,14-15H,2-3,5,11,13H2,1H3,(H,20,22)/b6-4+
InChIKeyXQYJEZICSRCGPV-GQCTYLIASA-N
MW297.40 g/mol
LogP3.52
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide

N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide (PubChem CID 59864516) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
PubChem CID59864516
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
SMILESCCC/C=C/c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H23N3O/c1-2-3-4-6-16-7-9-17(10-8-16)18(22)20-11-5-13-21-14-12-19-15-21/h4,6-10,12,14-15H,2-3,5,11,13H2,1H3,(H,20,22)/b6-4+
InChIKeyXQYJEZICSRCGPV-GQCTYLIASA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811383
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
N-ethyl-4-[(E)-pent-1-enyl]benzamide
CID 11644211
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
4-(3-aminoprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 60821775

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide (CID 59864516) is N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide is CCC/C=C/c1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide?
The InChIKey is XQYJEZICSRCGPV-GQCTYLIASA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-3-4-6-16-7-9-17(10-8-16)18(22)20-11-5-13-21-14-12-19-15-21/h4,6-10,12,14-15H,2-3,5,11,13H2,1H3,(H,20,22)/b6-4+.
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide is sourced from PubChem (CID 59864516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).