2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide

C23H28ClN3O2 — CID 16986382

IUPAC2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide
SMILESCC(C)CCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H28ClN3O2/c1-17(2)13-15-27-21-7-4-3-6-20(21)26-22(27)8-5-14-25-23(28)16-29-19-11-9-18(24)10-12-19/h3-4,6-7,9-12,17H,5,8,13-16H2,1-2H3,(H,25,28)
InChIKeyWBRRCCZGYBYLRC-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.86
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide

2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide (PubChem CID 16986382) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide
PubChem CID16986382
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide
SMILESCC(C)CCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H28ClN3O2/c1-17(2)13-15-27-21-7-4-3-6-20(21)26-22(27)8-5-14-25-23(28)16-29-19-11-9-18(24)10-12-19/h3-4,6-7,9-12,17H,5,8,13-16H2,1-2H3,(H,25,28)
InChIKeyWBRRCCZGYBYLRC-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.86
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-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
2-(4-chlorophenoxy)-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986442
2-(4-chlorophenoxy)-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986501
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
N-[3-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-chlorophenoxy)acetamide
CID 16986499
2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993813
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986431
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
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
2-(4-chlorophenoxy)-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16986490
2-(4-chlorophenoxy)-N-[3-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]propyl]acetamide
CID 16986533

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide (CID 16986382) is 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide is CC(C)CCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide?
The InChIKey is WBRRCCZGYBYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17(2)13-15-27-21-7-4-3-6-20(21)26-22(27)8-5-14-25-23(28)16-29-19-11-9-18(24)10-12-19/h3-4,6-7,9-12,17H,5,8,13-16H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide has a molecular weight of 413.95 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16986382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).