2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole

C22H26ClN3O — CID 10601378

IUPAC2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1
InChIInChI=1S/C22H26ClN3O/c23-18-7-9-19(10-8-18)27-16-22-25-20-5-1-2-6-21(20)26(22)15-3-4-17-11-13-24-14-12-17/h1-2,5-10,17,24H,3-4,11-16H2
InChIKeySTOCCRAFAIUTRW-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.05
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole

2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole (PubChem CID 10601378) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole
PubChem CID10601378
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1
InChIInChI=1S/C22H26ClN3O/c23-18-7-9-19(10-8-18)27-16-22-25-20-5-1-2-6-21(20)26(22)15-3-4-17-11-13-24-14-12-17/h1-2,5-10,17,24H,3-4,11-16H2
InChIKeySTOCCRAFAIUTRW-UHFFFAOYSA-N
XLogP5.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole (CID 10601378) is 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole is Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole?
The InChIKey is STOCCRAFAIUTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-18-7-9-19(10-8-18)27-16-22-25-20-5-1-2-6-21(20)26(22)15-3-4-17-11-13-24-14-12-17/h1-2,5-10,17,24H,3-4,11-16H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole has a molecular weight of 383.92 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)benzimidazole is sourced from PubChem (CID 10601378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).