N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide

C25H33N3O3 — CID 16988071

IUPACN-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(OC)cc1
InChIInChI=1S/C25H33N3O3/c1-3-25(29)26-17-8-4-5-12-24-27-22-10-6-7-11-23(22)28(24)18-9-19-31-21-15-13-20(30-2)14-16-21/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29)
InChIKeyOYCFNMBYXHHLKL-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.75
Rot. Bonds13

About N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide

N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988071) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988071
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(OC)cc1
InChIInChI=1S/C25H33N3O3/c1-3-25(29)26-17-8-4-5-12-24-27-22-10-6-7-11-23(22)28(24)18-9-19-31-21-15-13-20(30-2)14-16-21/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29)
InChIKeyOYCFNMBYXHHLKL-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988067
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993390
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988234
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988071) is N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is CCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(OC)cc1.
What is the InChIKey of N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is OYCFNMBYXHHLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-25(29)26-17-8-4-5-12-24-27-22-10-6-7-11-23(22)28(24)18-9-19-31-21-15-13-20(30-2)14-16-21/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29).
What are the key properties of N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 4.75, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).