5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole

C13H15Cl2N3O — CID 141109082

IUPAC5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole
SMILESClc1cc2nc(OCC3CCNCC3)[nH]c2cc1Cl
InChIInChI=1S/C13H15Cl2N3O/c14-9-5-11-12(6-10(9)15)18-13(17-11)19-7-8-1-3-16-4-2-8/h5-6,8,16H,1-4,7H2,(H,17,18)
InChIKeyCVIGOXKLCQTEEV-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.25
Rot. Bonds3

About 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole

5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole (PubChem CID 141109082) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole
PubChem CID141109082
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole
SMILESClc1cc2nc(OCC3CCNCC3)[nH]c2cc1Cl
InChIInChI=1S/C13H15Cl2N3O/c14-9-5-11-12(6-10(9)15)18-13(17-11)19-7-8-1-3-16-4-2-8/h5-6,8,16H,1-4,7H2,(H,17,18)
InChIKeyCVIGOXKLCQTEEV-UHFFFAOYSA-N
XLogP3.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-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 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole (CID 141109082) is 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole is Clc1cc2nc(OCC3CCNCC3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole?
The InChIKey is CVIGOXKLCQTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-9-5-11-12(6-10(9)15)18-13(17-11)19-7-8-1-3-16-4-2-8/h5-6,8,16H,1-4,7H2,(H,17,18).
What are the key properties of 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole?
5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole has a molecular weight of 300.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(piperidin-4-ylmethoxy)-1H-benzimidazole is sourced from PubChem (CID 141109082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).