N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide

C26H35N3O2 — CID 16988210

IUPACN-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
SMILESCCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C26H35N3O2/c1-3-12-26(30)27-18-10-4-5-17-25-28-22-14-7-8-15-23(22)29(25)19-11-20-31-24-16-9-6-13-21(24)2/h6-9,13-16H,3-5,10-12,17-20H2,1-2H3,(H,27,30)
InChIKeyAKZOILWRXXPKOX-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.44
Rot. Bonds13

About N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide

N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988210) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

Compound NameN-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
PubChem CID16988210
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
SMILESCCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C26H35N3O2/c1-3-12-26(30)27-18-10-4-5-17-25-28-22-14-7-8-15-23(22)29(25)19-11-20-31-24-16-9-6-13-21(24)2/h6-9,13-16H,3-5,10-12,17-20H2,1-2H3,(H,27,30)
InChIKeyAKZOILWRXXPKOX-UHFFFAOYSA-N
XLogP5.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.44
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-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988185
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988186
N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988245
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981324
N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988292
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991936
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988234
2-(4-chlorophenyl)-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993909
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988237

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
The IUPAC name of N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988210) is N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide.
What is the SMILES notation for N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
The canonical SMILES for N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide is CCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1C.
What is the InChIKey of N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
The InChIKey is AKZOILWRXXPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-3-12-26(30)27-18-10-4-5-17-25-28-22-14-7-8-15-23(22)29(25)19-11-20-31-24-16-9-6-13-21(24)2/h6-9,13-16H,3-5,10-12,17-20H2,1-2H3,(H,27,30).
What are the key properties of N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 421.59 g/mol, XLogP of 5.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).