N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide

C27H37N3O2 — CID 16988234

IUPACN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
SMILESCCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1
InChIInChI=1S/C27H37N3O2/c1-3-11-27(31)28-19-9-5-6-14-26-29-24-12-7-8-13-25(24)30(26)20-10-21-32-23-17-15-22(4-2)16-18-23/h7-8,12-13,15-18H,3-6,9-11,14,19-21H2,1-2H3,(H,28,31)
InChIKeyLNBBKKWMEDJVLO-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.70
Rot. Bonds14

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

N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988234) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

Compound NameN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
PubChem CID16988234
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
SMILESCCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1
InChIInChI=1S/C27H37N3O2/c1-3-11-27(31)28-19-9-5-6-14-26-29-24-12-7-8-13-25(24)30(26)20-10-21-32-23-17-15-22(4-2)16-18-23/h7-8,12-13,15-18H,3-6,9-11,14,19-21H2,1-2H3,(H,28,31)
InChIKeyLNBBKKWMEDJVLO-UHFFFAOYSA-N
XLogP5.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.70
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-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988292
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988882
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988720
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334
2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993766
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988237
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
The IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988234) is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide.
What is the SMILES notation for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
The canonical SMILES for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide is CCCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1.
What is the InChIKey of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
The InChIKey is LNBBKKWMEDJVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-3-11-27(31)28-19-9-5-6-14-26-29-24-12-7-8-13-25(24)30(26)20-10-21-32-23-17-15-22(4-2)16-18-23/h7-8,12-13,15-18H,3-6,9-11,14,19-21H2,1-2H3,(H,28,31).
What are the key properties of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide?
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 435.61 g/mol, XLogP of 5.70, 14 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-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).