5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole

C23H26ClN3O — CID 10410533

IUPAC5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole
SMILESCCOc1ccc(/C=C/c2nc3cc(Cl)ccc3n2CN2CCCCC2)cc1
InChIInChI=1S/C23H26ClN3O/c1-2-28-20-10-6-18(7-11-20)8-13-23-25-21-16-19(24)9-12-22(21)27(23)17-26-14-4-3-5-15-26/h6-13,16H,2-5,14-15,17H2,1H3/b13-8+
InChIKeyMONYXEOOJPZBFS-MDWZMJQESA-N
MW395.93 g/mol
LogP5.70
Rot. Bonds6

About 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole

5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole (PubChem CID 10410533) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole
PubChem CID10410533
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole
SMILESCCOc1ccc(/C=C/c2nc3cc(Cl)ccc3n2CN2CCCCC2)cc1
InChIInChI=1S/C23H26ClN3O/c1-2-28-20-10-6-18(7-11-20)8-13-23-25-21-16-19(24)9-12-22(21)27(23)17-26-14-4-3-5-15-26/h6-13,16H,2-5,14-15,17H2,1H3/b13-8+
InChIKeyMONYXEOOJPZBFS-MDWZMJQESA-N
XLogP5.70
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole?
The IUPAC name of 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole (CID 10410533) is 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole is CCOc1ccc(/C=C/c2nc3cc(Cl)ccc3n2CN2CCCCC2)cc1.
What is the InChIKey of 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole?
The InChIKey is MONYXEOOJPZBFS-MDWZMJQESA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-2-28-20-10-6-18(7-11-20)8-13-23-25-21-16-19(24)9-12-22(21)27(23)17-26-14-4-3-5-15-26/h6-13,16H,2-5,14-15,17H2,1H3/b13-8+.
What are the key properties of 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole?
5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole has a molecular weight of 395.93 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-(piperidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 10410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).