2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole

C25H36N4 — CID 123176599

IUPAC2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole
SMILESCC(C1CCCCC1)N1C2CCC1CC(n1c(C3CNC3)nc3ccccc31)C2
InChIInChI=1S/C25H36N4/c1-17(18-7-3-2-4-8-18)28-20-11-12-21(28)14-22(13-20)29-24-10-6-5-9-23(24)27-25(29)19-15-26-16-19/h5-6,9-10,17-22,26H,2-4,7-8,11-16H2,1H3
InChIKeyCXMOQKLBNZPMMT-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.86
Rot. Bonds4

About 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole

2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole (PubChem CID 123176599) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole
PubChem CID123176599
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC Name2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole
SMILESCC(C1CCCCC1)N1C2CCC1CC(n1c(C3CNC3)nc3ccccc31)C2
InChIInChI=1S/C25H36N4/c1-17(18-7-3-2-4-8-18)28-20-11-12-21(28)14-22(13-20)29-24-10-6-5-9-23(24)27-25(29)19-15-26-16-19/h5-6,9-10,17-22,26H,2-4,7-8,11-16H2,1H3
InChIKeyCXMOQKLBNZPMMT-UHFFFAOYSA-N
XLogP4.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole?
The IUPAC name of 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole (CID 123176599) is 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole?
The canonical SMILES for 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole is CC(C1CCCCC1)N1C2CCC1CC(n1c(C3CNC3)nc3ccccc31)C2.
What is the InChIKey of 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole?
The InChIKey is CXMOQKLBNZPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4/c1-17(18-7-3-2-4-8-18)28-20-11-12-21(28)14-22(13-20)29-24-10-6-5-9-23(24)27-25(29)19-15-26-16-19/h5-6,9-10,17-22,26H,2-4,7-8,11-16H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole?
2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole has a molecular weight of 392.59 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[8-(1-cyclohexylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazole is sourced from PubChem (CID 123176599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).