N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

C24H30ClN3O2 — CID 16987932

IUPACN-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O2/c1-19(29)26-16-6-2-3-11-24-27-22-9-4-5-10-23(22)28(24)17-7-8-18-30-21-14-12-20(25)13-15-21/h4-5,9-10,12-15H,2-3,6-8,11,16-18H2,1H3,(H,26,29)
InChIKeyDKKIRIGEXOMRJL-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.40
Rot. Bonds12

About N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide

N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16987932) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
PubChem CID16987932
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O2/c1-19(29)26-16-6-2-3-11-24-27-22-9-4-5-10-23(22)28(24)17-7-8-18-30-21-14-12-20(25)13-15-21/h4-5,9-10,12-15H,2-3,6-8,11,16-18H2,1H3,(H,26,29)
InChIKeyDKKIRIGEXOMRJL-UHFFFAOYSA-N
XLogP5.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 55.40
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-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
2-(4-chlorophenoxy)-N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993314
N-[5-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987931
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
4-chloro-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987900
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
N-[3-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986819
N-[5-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991791
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide (CID 16987932) is N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is CC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is DKKIRIGEXOMRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-19(29)26-16-6-2-3-11-24-27-22-9-4-5-10-23(22)28(24)17-7-8-18-30-21-14-12-20(25)13-15-21/h4-5,9-10,12-15H,2-3,6-8,11,16-18H2,1H3,(H,26,29).
What are the key properties of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide?
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 427.98 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16987932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).