N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide

C18H23N3O — CID 38336531

IUPACN-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
SMILESO=C(NCCCC1CCCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23N3O/c22-18(20-11-3-6-15-4-1-2-5-15)16-7-9-17(10-8-16)21-13-12-19-14-21/h7-10,12-15H,1-6,11H2,(H,20,22)
InChIKeyZRUJDELCIUAUCM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds6

About N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide

N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide (PubChem CID 38336531) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
PubChem CID38336531
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
SMILESO=C(NCCCC1CCCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23N3O/c22-18(20-11-3-6-15-4-1-2-5-15)16-7-9-17(10-8-16)21-13-12-19-14-21/h7-10,12-15H,1-6,11H2,(H,20,22)
InChIKeyZRUJDELCIUAUCM-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
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

4-imidazol-1-yl-N-propylbenzamide
CID 31533072
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 44589177
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-4-imidazol-1-ylbenzamide
CID 59007499
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
CID 29028004
1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 68572763

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide (CID 38336531) is N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide is O=C(NCCCC1CCCC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide?
The InChIKey is ZRUJDELCIUAUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(20-11-3-6-15-4-1-2-5-15)16-7-9-17(10-8-16)21-13-12-19-14-21/h7-10,12-15H,1-6,11H2,(H,20,22).
What are the key properties of N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide?
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 38336531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).