2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C10H17N3 — CID 55263454

IUPAC2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C10H17N3/c1-10(2,3)9-12-7-4-5-11-6-8(7)13-9/h11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMWSWMUCACAGMKE-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.35
Rot. Bonds

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

2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 55263454) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID55263454
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C10H17N3/c1-10(2,3)9-12-7-4-5-11-6-8(7)13-9/h11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMWSWMUCACAGMKE-UHFFFAOYSA-N
XLogP1.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 55263454) is 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(C)(C)c1nc2c([nH]1)CNCC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is MWSWMUCACAGMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)9-12-7-4-5-11-6-8(7)13-9/h11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 179.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 55263454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).