2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide

C24H30ClN3O2 — CID 16971079

IUPAC2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
SMILESCCCCCCCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O2/c1-2-3-4-5-6-9-16-28-22-11-8-7-10-21(22)27-23(28)17-26-24(29)18-30-20-14-12-19(25)13-15-20/h7-8,10-15H,2-6,9,16-18H2,1H3,(H,26,29)
InChIKeyDQRDLKIBGSQVRT-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.75
Rot. Bonds12

About 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 16971079) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
PubChem CID16971079
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
SMILESCCCCCCCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O2/c1-2-3-4-5-6-9-16-28-22-11-8-7-10-21(22)27-23(28)17-26-24(29)18-30-20-14-12-19(25)13-15-20/h7-8,10-15H,2-6,9,16-18H2,1H3,(H,26,29)
InChIKeyDQRDLKIBGSQVRT-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
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

2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 16971124
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
2-(4-chlorophenoxy)-N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971175
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide (CID 16971079) is 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide is CCCCCCCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is DQRDLKIBGSQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-2-3-4-5-6-9-16-28-22-11-8-7-10-21(22)27-23(28)17-26-24(29)18-30-20-14-12-19(25)13-15-20/h7-8,10-15H,2-6,9,16-18H2,1H3,(H,26,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 427.98 g/mol, XLogP of 5.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 16971079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).