N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide

C23H29N3O2 — CID 16987885

IUPACN-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-19(27)24-16-9-3-6-15-23-25-21-13-7-8-14-22(21)26(23)17-10-18-28-20-11-4-2-5-12-20/h2,4-5,7-8,11-14H,3,6,9-10,15-18H2,1H3,(H,24,27)
InChIKeyPOWGMFUEKBMXON-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.35
Rot. Bonds11

About N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide

N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16987885) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16987885
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-19(27)24-16-9-3-6-15-23-25-21-13-7-8-14-22(21)26(23)17-10-18-28-20-11-4-2-5-12-20/h2,4-5,7-8,11-14H,3,6,9-10,15-18H2,1H3,(H,24,27)
InChIKeyPOWGMFUEKBMXON-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987900
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987932
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987931
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
CID 16981023
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide (CID 16987885) is N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide is CC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is POWGMFUEKBMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19(27)24-16-9-3-6-15-23-25-21-13-7-8-14-22(21)26(23)17-10-18-28-20-11-4-2-5-12-20/h2,4-5,7-8,11-14H,3,6,9-10,15-18H2,1H3,(H,24,27).
What are the key properties of N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide?
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16987885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).