4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C11H17N3O — CID 165470768

IUPAC4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1(C2CCCO2)NCCc2[nH]cnc21
InChIInChI=1S/C11H17N3O/c1-11(9-3-2-6-15-9)10-8(4-5-14-11)12-7-13-10/h7,9,14H,2-6H2,1H3,(H,12,13)
InChIKeyJEMQFAIUEHMVGL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds1

About 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine

4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 165470768) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID165470768
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1(C2CCCO2)NCCc2[nH]cnc21
InChIInChI=1S/C11H17N3O/c1-11(9-3-2-6-15-9)10-8(4-5-14-11)12-7-13-10/h7,9,14H,2-6H2,1H3,(H,12,13)
InChIKeyJEMQFAIUEHMVGL-UHFFFAOYSA-N
XLogP0.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 165470768) is 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1(C2CCCO2)NCCc2[nH]cnc21.
What is the InChIKey of 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is JEMQFAIUEHMVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(9-3-2-6-15-9)10-8(4-5-14-11)12-7-13-10/h7,9,14H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 165470768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).