N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide

C21H25N3O — CID 16989267

IUPACN-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-2-24-19-14-9-8-13-18(19)23-20(24)15-7-4-10-16-22-21(25)17-11-5-3-6-12-17/h3,5-6,8-9,11-14H,2,4,7,10,15-16H2,1H3,(H,22,25)
InChIKeyXTSQHEZJWBVBHL-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.20
Rot. Bonds8

About N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide

N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16989267) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound NameN-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16989267
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-2-24-19-14-9-8-13-18(19)23-20(24)15-7-4-10-16-22-21(25)17-11-5-3-6-12-17/h3,5-6,8-9,11-14H,2,4,7,10,15-16H2,1H3,(H,22,25)
InChIKeyXTSQHEZJWBVBHL-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(1-ethylbenzimidazol-2-yl)pentyl]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-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992021
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989415
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide (CID 16989267) is N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide is CCn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is XTSQHEZJWBVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-24-19-14-9-8-13-18(19)23-20(24)15-7-4-10-16-22-21(25)17-11-5-3-6-12-17/h3,5-6,8-9,11-14H,2,4,7,10,15-16H2,1H3,(H,22,25).
What are the key properties of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide?
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16989267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).