1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H21N3 — CID 64856291

IUPAC1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1nc2c(n1C1CCCCCC1)CCNC2
InChIInChI=1S/C13H21N3/c1-2-4-6-11(5-3-1)16-10-15-12-9-14-8-7-13(12)16/h10-11,14H,1-9H2
InChIKeyQARZKLCHJDZPQE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds1

About 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856291) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856291
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1nc2c(n1C1CCCCCC1)CCNC2
InChIInChI=1S/C13H21N3/c1-2-4-6-11(5-3-1)16-10-15-12-9-14-8-7-13(12)16/h10-11,14H,1-9H2
InChIKeyQARZKLCHJDZPQE-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856291) is 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is c1nc2c(n1C1CCCCCC1)CCNC2.
What is the InChIKey of 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QARZKLCHJDZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-4-6-11(5-3-1)16-10-15-12-9-14-8-7-13(12)16/h10-11,14H,1-9H2.
What are the key properties of 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).