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

C11H16ClF2N3 — CID 90987844

IUPAC7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)C1NCC(CC(F)(F)Cl)c2nc[nH]c21
InChIInChI=1S/C11H16ClF2N3/c1-6(2)8-10-9(16-5-17-10)7(4-15-8)3-11(12,13)14/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyJHVWWIVCTIRGCT-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.02
Rot. Bonds3

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

7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 90987844) has the molecular formula C11H16ClF2N3 and a molecular weight of 263.72 g/mol. Its IUPAC name is 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID90987844
Molecular FormulaC11H16ClF2N3
Molecular Weight263.72 g/mol
Exact Mass263.10
IUPAC Name7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)C1NCC(CC(F)(F)Cl)c2nc[nH]c21
InChIInChI=1S/C11H16ClF2N3/c1-6(2)8-10-9(16-5-17-10)7(4-15-8)3-11(12,13)14/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyJHVWWIVCTIRGCT-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 90987844) is 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(C)C1NCC(CC(F)(F)Cl)c2nc[nH]c21.
What is the InChIKey of 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is JHVWWIVCTIRGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2N3/c1-6(2)8-10-9(16-5-17-10)7(4-15-8)3-11(12,13)14/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 263.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-2,2-difluoroethyl)-4-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 90987844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).