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

C25H33N3O2 — CID 16988066

IUPACN-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)cc1
InChIInChI=1S/C25H33N3O2/c1-3-25(29)26-17-8-4-5-12-24-27-22-10-6-7-11-23(22)28(24)18-9-19-30-21-15-13-20(2)14-16-21/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29)
InChIKeyIOSRCUHIHLEAKG-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.05
Rot. Bonds12

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

N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988066) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988066
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)cc1
InChIInChI=1S/C25H33N3O2/c1-3-25(29)26-17-8-4-5-12-24-27-22-10-6-7-11-23(22)28(24)18-9-19-30-21-15-13-20(2)14-16-21/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29)
InChIKeyIOSRCUHIHLEAKG-UHFFFAOYSA-N
XLogP5.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.05
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-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988067
N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988292
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993574
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
2-(2,5-dimethylphenoxy)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993088
2-(4-chlorophenoxy)-N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993314
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
N-[5-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988131
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988066) is N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is CCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(C)cc1.
What is the InChIKey of N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is IOSRCUHIHLEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-25(29)26-17-8-4-5-12-24-27-22-10-6-7-11-23(22)28(24)18-9-19-30-21-15-13-20(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-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide?
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 5.05, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).