3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine

C24H32N4 — CID 70551890

IUPAC3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine
SMILESc1ccc(CN2CN(C3CCN(C4CCCCC4)CC3)c3cccnc32)cc1
InChIInChI=1S/C24H32N4/c1-3-8-20(9-4-1)18-27-19-28(23-12-7-15-25-24(23)27)22-13-16-26(17-14-22)21-10-5-2-6-11-21/h1,3-4,7-9,12,15,21-22H,2,5-6,10-11,13-14,16-19H2
InChIKeyYUUAUGNDMYJQOU-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.66
Rot. Bonds4

About 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine

3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine (PubChem CID 70551890) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine
PubChem CID70551890
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine
SMILESc1ccc(CN2CN(C3CCN(C4CCCCC4)CC3)c3cccnc32)cc1
InChIInChI=1S/C24H32N4/c1-3-8-20(9-4-1)18-27-19-28(23-12-7-15-25-24(23)27)22-13-16-26(17-14-22)21-10-5-2-6-11-21/h1,3-4,7-9,12,15,21-22H,2,5-6,10-11,13-14,16-19H2
InChIKeyYUUAUGNDMYJQOU-UHFFFAOYSA-N
XLogP4.66
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine (CID 70551890) is 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine is c1ccc(CN2CN(C3CCN(C4CCCCC4)CC3)c3cccnc32)cc1.
What is the InChIKey of 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine?
The InChIKey is YUUAUGNDMYJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-3-8-20(9-4-1)18-27-19-28(23-12-7-15-25-24(23)27)22-13-16-26(17-14-22)21-10-5-2-6-11-21/h1,3-4,7-9,12,15,21-22H,2,5-6,10-11,13-14,16-19H2.
What are the key properties of 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine?
3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine has a molecular weight of 376.55 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 70551890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).