5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C13H17ClFN3 — CID 79496924

IUPAC5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFN3/c1-8(2)7-18-12(6-17-13(18)16)9-3-4-10(14)11(15)5-9/h3-5,8,12H,6-7H2,1-2H3,(H2,16,17)
InChIKeyZPNDDQSNFSIFRS-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.81
Rot. Bonds3

About 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79496924) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID79496924
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC Name5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFN3/c1-8(2)7-18-12(6-17-13(18)16)9-3-4-10(14)11(15)5-9/h3-5,8,12H,6-7H2,1-2H3,(H2,16,17)
InChIKeyZPNDDQSNFSIFRS-UHFFFAOYSA-N
XLogP2.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 79496924) is 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)CN1C(N)=NCC1c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZPNDDQSNFSIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c1-8(2)7-18-12(6-17-13(18)16)9-3-4-10(14)11(15)5-9/h3-5,8,12H,6-7H2,1-2H3,(H2,16,17).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 269.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).