N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide

C17H25N3O — CID 56792616

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
SMILESCCCCCC(=O)NCCCc1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-3-4-5-12-17(21)18-13-8-11-16-19-14-9-6-7-10-15(14)20(16)2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,18,21)
InChIKeySDUDXLIQBFUCMI-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.20
Rot. Bonds8

About N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide (PubChem CID 56792616) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
PubChem CID56792616
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
SMILESCCCCCC(=O)NCCCc1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-3-4-5-12-17(21)18-13-8-11-16-19-14-9-6-7-10-15(14)20(16)2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,18,21)
InChIKeySDUDXLIQBFUCMI-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.20
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-[3-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-oxopropyl]benzoic acid
CID 119185805
3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91832585
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide (CID 56792616) is N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide is CCCCCC(=O)NCCCc1nc2ccccc2n1C.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide?
The InChIKey is SDUDXLIQBFUCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-4-5-12-17(21)18-13-8-11-16-19-14-9-6-7-10-15(14)20(16)2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide has a molecular weight of 287.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide is sourced from PubChem (CID 56792616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).