N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide

C20H31N3O — CID 16987982

IUPACN-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
SMILESCCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21
InChIInChI=1S/C20H31N3O/c1-3-5-11-16-23-18-13-9-8-12-17(18)22-19(23)14-7-6-10-15-21-20(24)4-2/h8-9,12-13H,3-7,10-11,14-16H2,1-2H3,(H,21,24)
InChIKeyCDIQIEVHHOUVDC-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.47
Rot. Bonds11

About N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide

N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide (PubChem CID 16987982) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide.

Molecular Properties

Compound NameN-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
PubChem CID16987982
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
SMILESCCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21
InChIInChI=1S/C20H31N3O/c1-3-5-11-16-23-18-13-9-8-12-17(18)22-19(23)14-7-6-10-15-21-20(24)4-2/h8-9,12-13H,3-7,10-11,14-16H2,1-2H3,(H,21,24)
InChIKeyCDIQIEVHHOUVDC-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.47
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

2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide?
The IUPAC name of N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide (CID 16987982) is N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide.
What is the SMILES notation for N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide?
The canonical SMILES for N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide is CCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21.
What is the InChIKey of N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide?
The InChIKey is CDIQIEVHHOUVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-5-11-16-23-18-13-9-8-12-17(18)22-19(23)14-7-6-10-15-21-20(24)4-2/h8-9,12-13H,3-7,10-11,14-16H2,1-2H3,(H,21,24).
What are the key properties of N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide?
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide is sourced from PubChem (CID 16987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).