N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C15H20N4 — CID 10377720

IUPACN-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1cc(CNC2CN3CCC2CC3)c2nc[nH]c2c1
InChIInChI=1S/C15H20N4/c1-2-12(15-13(3-1)17-10-18-15)8-16-14-9-19-6-4-11(14)5-7-19/h1-3,10-11,14,16H,4-9H2,(H,17,18)
InChIKeyUQGVTMYIBNVFHS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.75
Rot. Bonds3

About N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 10377720) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID10377720
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1cc(CNC2CN3CCC2CC3)c2nc[nH]c2c1
InChIInChI=1S/C15H20N4/c1-2-12(15-13(3-1)17-10-18-15)8-16-14-9-19-6-4-11(14)5-7-19/h1-3,10-11,14,16H,4-9H2,(H,17,18)
InChIKeyUQGVTMYIBNVFHS-UHFFFAOYSA-N
XLogP1.75
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 10377720) is N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is c1cc(CNC2CN3CCC2CC3)c2nc[nH]c2c1.
What is the InChIKey of N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is UQGVTMYIBNVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-12(15-13(3-1)17-10-18-15)8-16-14-9-19-6-4-11(14)5-7-19/h1-3,10-11,14,16H,4-9H2,(H,17,18).
What are the key properties of N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 256.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 10377720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).