3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine

C12H21F2N3 — CID 23343228

IUPAC3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine
SMILESCC(C)c1nc(C(C)C)c(CC(N)C(F)F)[nH]1
InChIInChI=1S/C12H21F2N3/c1-6(2)10-9(5-8(15)11(13)14)16-12(17-10)7(3)4/h6-8,11H,5,15H2,1-4H3,(H,16,17)
InChIKeySKWJISJHFFBJSZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.79
Rot. Bonds5

About 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine

3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine (PubChem CID 23343228) has the molecular formula C12H21F2N3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine
PubChem CID23343228
Molecular FormulaC12H21F2N3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine
SMILESCC(C)c1nc(C(C)C)c(CC(N)C(F)F)[nH]1
InChIInChI=1S/C12H21F2N3/c1-6(2)10-9(5-8(15)11(13)14)16-12(17-10)7(3)4/h6-8,11H,5,15H2,1-4H3,(H,16,17)
InChIKeySKWJISJHFFBJSZ-UHFFFAOYSA-N
XLogP2.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine 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-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine?
The IUPAC name of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine (CID 23343228) is 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine is CC(C)c1nc(C(C)C)c(CC(N)C(F)F)[nH]1.
What is the InChIKey of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine?
The InChIKey is SKWJISJHFFBJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3/c1-6(2)10-9(5-8(15)11(13)14)16-12(17-10)7(3)4/h6-8,11H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine?
3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 23343228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).