1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine

C15H19ClN4 — CID 79499811

IUPAC1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CN3CCC2CC3)N1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c16-12-2-1-3-13(8-12)20-14(17)18-9-15(20)10-19-6-4-11(15)5-7-19/h1-3,8,11H,4-7,9-10H2,(H2,17,18)
InChIKeyBDTKBPCWUSPZMC-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.94
Rot. Bonds1

About 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine

1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine (PubChem CID 79499811) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
PubChem CID79499811
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CN3CCC2CC3)N1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4/c16-12-2-1-3-13(8-12)20-14(17)18-9-15(20)10-19-6-4-11(15)5-7-19/h1-3,8,11H,4-7,9-10H2,(H2,17,18)
InChIKeyBDTKBPCWUSPZMC-UHFFFAOYSA-N
XLogP1.94
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine (CID 79499811) is 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine is NC1=NCC2(CN3CCC2CC3)N1c1cccc(Cl)c1.
What is the InChIKey of 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The InChIKey is BDTKBPCWUSPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-12-2-1-3-13(8-12)20-14(17)18-9-15(20)10-19-6-4-11(15)5-7-19/h1-3,8,11H,4-7,9-10H2,(H2,17,18).
What are the key properties of 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine has a molecular weight of 290.80 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79499811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).