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

C21H24ClN3O2 — CID 16986374

IUPAC2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O2/c1-2-14-25-19-7-4-3-6-18(19)24-20(25)8-5-13-23-21(26)15-27-17-11-9-16(22)10-12-17/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,23,26)
InChIKeyALWJMPHHFKOUFL-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.23
Rot. Bonds9

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

2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 16986374) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
PubChem CID16986374
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O2/c1-2-14-25-19-7-4-3-6-18(19)24-20(25)8-5-13-23-21(26)15-27-17-11-9-16(22)10-12-17/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,23,26)
InChIKeyALWJMPHHFKOUFL-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.23
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-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
2-(4-chlorophenoxy)-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986501
2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide
CID 16986382
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986431
2-(4-chlorophenoxy)-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986442
N-[3-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-chlorophenoxy)acetamide
CID 16986499
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide (CID 16986374) is 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide is CCCn1c(CCCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is ALWJMPHHFKOUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-14-25-19-7-4-3-6-18(19)24-20(25)8-5-13-23-21(26)15-27-17-11-9-16(22)10-12-17/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 4.23, 9 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-propylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 16986374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).