5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

C12H15F2N3 — CID 79509555

IUPAC5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1c(F)cccc1F
InChIInChI=1S/C12H15F2N3/c1-7(2)17-10(6-16-12(17)15)11-8(13)4-3-5-9(11)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16)
InChIKeyFKCUBTSGBVDUFC-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.04
Rot. Bonds2

About 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79509555) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79509555
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1c(F)cccc1F
InChIInChI=1S/C12H15F2N3/c1-7(2)17-10(6-16-12(17)15)11-8(13)4-3-5-9(11)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16)
InChIKeyFKCUBTSGBVDUFC-UHFFFAOYSA-N
XLogP2.04
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
(2-Amino-1-(4-fluorophenyl)ethyl)dimethylamine
CID 3163525
Deximafen
CID 163316
(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102542
(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102548
(5S)-N,N,5-trimethyl-1-(4-phenylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102695
(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
CID 145962974
(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 135386347
1-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1H-imidazole
CID 72942199

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79509555) is 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is FKCUBTSGBVDUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-7(2)17-10(6-16-12(17)15)11-8(13)4-3-5-9(11)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16).
What are the key properties of 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).