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

C18H23N3O — CID 59811383

IUPACN-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H23N3O/c1-15(2)4-5-16-6-8-17(9-7-16)18(22)20-10-3-12-21-13-11-19-14-21/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,20,22)/b5-4+
InChIKeyBZELASLLLAQIGL-SNAWJCMRSA-N
MW297.40 g/mol
LogP3.37
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide (PubChem CID 59811383) 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)-3-methylbut-1-enyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
PubChem CID59811383
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C18H23N3O/c1-15(2)4-5-16-6-8-17(9-7-16)18(22)20-10-3-12-21-13-11-19-14-21/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,20,22)/b5-4+
InChIKeyBZELASLLLAQIGL-SNAWJCMRSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]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-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
CID 59864516
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
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-[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
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
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
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide (CID 59811383) is N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide is CC(C)/C=C/c1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
The InChIKey is BZELASLLLAQIGL-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15(2)4-5-16-6-8-17(9-7-16)18(22)20-10-3-12-21-13-11-19-14-21/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,20,22)/b5-4+.
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.37, 7 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)-3-methylbut-1-enyl]benzamide is sourced from PubChem (CID 59811383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).