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

C12H15ClFN3 — CID 79497236

IUPAC5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN3/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)
InChIKeyAWODTTGJVXXUPY-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.56
Rot. Bonds2

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

5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79497236) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79497236
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN3/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)
InChIKeyAWODTTGJVXXUPY-UHFFFAOYSA-N
XLogP2.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79497236) is 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1c1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is AWODTTGJVXXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/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-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 255.72 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).