5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H17F2N3O2 — CID 79509155

IUPAC5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCOc1cc(C2CN=C(N)N2C)ccc1OC(F)F
InChIInChI=1S/C13H17F2N3O2/c1-3-19-11-6-8(4-5-10(11)20-12(14)15)9-7-17-13(16)18(9)2/h4-6,9,12H,3,7H2,1-2H3,(H2,16,17)
InChIKeyJHQKFLLDJKVBOZ-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.99
Rot. Bonds5

About 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine

5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 79509155) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID79509155
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCOc1cc(C2CN=C(N)N2C)ccc1OC(F)F
InChIInChI=1S/C13H17F2N3O2/c1-3-19-11-6-8(4-5-10(11)20-12(14)15)9-7-17-13(16)18(9)2/h4-6,9,12H,3,7H2,1-2H3,(H2,16,17)
InChIKeyJHQKFLLDJKVBOZ-UHFFFAOYSA-N
XLogP1.99
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 79509155) is 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine is CCOc1cc(C2CN=C(N)N2C)ccc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is JHQKFLLDJKVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-3-19-11-6-8(4-5-10(11)20-12(14)15)9-7-17-13(16)18(9)2/h4-6,9,12H,3,7H2,1-2H3,(H2,16,17).
What are the key properties of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 285.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).