4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C12H19N3 — CID 21330712

IUPAC4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESc1nc2c([nH]1)CCNC2C1CCCCC1
InChIInChI=1S/C12H19N3/c1-2-4-9(5-3-1)11-12-10(6-7-13-11)14-8-15-12/h8-9,11,13H,1-7H2,(H,14,15)
InChIKeyQYCAPCVZIYWAAR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.18
Rot. Bonds1

About 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 21330712) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID21330712
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESc1nc2c([nH]1)CCNC2C1CCCCC1
InChIInChI=1S/C12H19N3/c1-2-4-9(5-3-1)11-12-10(6-7-13-11)14-8-15-12/h8-9,11,13H,1-7H2,(H,14,15)
InChIKeyQYCAPCVZIYWAAR-UHFFFAOYSA-N
XLogP2.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 21330712) is 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is c1nc2c([nH]1)CCNC2C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QYCAPCVZIYWAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-4-9(5-3-1)11-12-10(6-7-13-11)14-8-15-12/h8-9,11,13H,1-7H2,(H,14,15).
What are the key properties of 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 205.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 21330712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).