5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

C13H17F2N3 — CID 79496543

IUPAC5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3/c1-8(2)18-12(16)17-7-13(18,3)10-5-4-9(14)6-11(10)15/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyQSFSAOCGYHFSOV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.22
Rot. Bonds2

About 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (PubChem CID 79496543) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
PubChem CID79496543
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3/c1-8(2)18-12(16)17-7-13(18,3)10-5-4-9(14)6-11(10)15/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyQSFSAOCGYHFSOV-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (CID 79496543) is 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is CC(C)N1C(N)=NCC1(C)c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is QSFSAOCGYHFSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c1-8(2)18-12(16)17-7-13(18,3)10-5-4-9(14)6-11(10)15/h4-6,8H,7H2,1-3H3,(H2,16,17).
What are the key properties of 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 253.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79496543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).