spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]

C11H15N3 — CID 589729

IUPACspiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]
SMILESc1cnc2c(c1)NC1(CCCCC1)N2
InChIInChI=1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14)
InChIKeyOUKQLJBANRHVIM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.58
Rot. Bonds

About spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]

spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane] (PubChem CID 589729) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]
PubChem CID589729
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Namespiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]
SMILESc1cnc2c(c1)NC1(CCCCC1)N2
InChIInChI=1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14)
InChIKeyOUKQLJBANRHVIM-UHFFFAOYSA-N
XLogP2.58
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]?
The IUPAC name of spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane] (CID 589729) is spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane].
What is the SMILES notation for spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]?
The canonical SMILES for spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane] is c1cnc2c(c1)NC1(CCCCC1)N2.
What is the InChIKey of spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]?
The InChIKey is OUKQLJBANRHVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14).
What are the key properties of spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]?
spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane] has a molecular weight of 189.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane] is sourced from PubChem (CID 589729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).