3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C12H18F2N2 — CID 153470244

IUPAC3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1c(C(F)F)nc2n1CCCC2
InChIInChI=1S/C12H18F2N2/c1-12(2,3)10-9(11(13)14)15-8-6-4-5-7-16(8)10/h11H,4-7H2,1-3H3
InChIKeyUSBSKSWLBNONKV-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.45
Rot. Bonds1

About 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 153470244) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID153470244
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1c(C(F)F)nc2n1CCCC2
InChIInChI=1S/C12H18F2N2/c1-12(2,3)10-9(11(13)14)15-8-6-4-5-7-16(8)10/h11H,4-7H2,1-3H3
InChIKeyUSBSKSWLBNONKV-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 153470244) is 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC(C)(C)c1c(C(F)F)nc2n1CCCC2.
What is the InChIKey of 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is USBSKSWLBNONKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-12(2,3)10-9(11(13)14)15-8-6-4-5-7-16(8)10/h11H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 228.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 153470244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).