2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C9H15N3 — CID 55251670

IUPAC2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C9H15N3/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyJOKMEMVYBXXTIA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.18
Rot. Bonds1

About 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 55251670) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID55251670
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C9H15N3/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyJOKMEMVYBXXTIA-UHFFFAOYSA-N
XLogP1.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 55251670) is 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(C)c1nc2c([nH]1)CNCC2.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is JOKMEMVYBXXTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)9-11-7-3-4-10-5-8(7)12-9/h6,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 165.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 55251670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).