5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole

C18H18Cl2N4 — CID 508380

IUPAC5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
SMILESClc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl
InChIInChI=1S/C18H18Cl2N4/c19-14-9-16-17(10-15(14)20)24(11-12-1-5-21-6-2-12)18(23-16)13-3-7-22-8-4-13/h1-2,5-6,9-10,13,22H,3-4,7-8,11H2
InChIKeyBORHXPPYEHZCOI-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.25
Rot. Bonds3

About 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole

5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole (PubChem CID 508380) has the molecular formula C18H18Cl2N4 and a molecular weight of 361.28 g/mol. Its IUPAC name is 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
PubChem CID508380
Molecular FormulaC18H18Cl2N4
Molecular Weight361.28 g/mol
Exact Mass360.09
IUPAC Name5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
SMILESClc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl
InChIInChI=1S/C18H18Cl2N4/c19-14-9-16-17(10-15(14)20)24(11-12-1-5-21-6-2-12)18(23-16)13-3-7-22-8-4-13/h1-2,5-6,9-10,13,22H,3-4,7-8,11H2
InChIKeyBORHXPPYEHZCOI-UHFFFAOYSA-N
XLogP4.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole?
The IUPAC name of 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole (CID 508380) is 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole?
The canonical SMILES for 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole is Clc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole?
The InChIKey is BORHXPPYEHZCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4/c19-14-9-16-17(10-15(14)20)24(11-12-1-5-21-6-2-12)18(23-16)13-3-7-22-8-4-13/h1-2,5-6,9-10,13,22H,3-4,7-8,11H2.
What are the key properties of 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole?
5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole has a molecular weight of 361.28 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 508380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).