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

C14H19F2N3O2 — CID 79498489

IUPAC5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCOc1cc(C2CN=C(N)N2CC)ccc1OC(F)F
InChIInChI=1S/C14H19F2N3O2/c1-3-19-10(8-18-14(19)17)9-5-6-11(21-13(15)16)12(7-9)20-4-2/h5-7,10,13H,3-4,8H2,1-2H3,(H2,17,18)
InChIKeyLPEIUNRTYMZXTO-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.38
Rot. Bonds6

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

5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498489) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine
PubChem CID79498489
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCOc1cc(C2CN=C(N)N2CC)ccc1OC(F)F
InChIInChI=1S/C14H19F2N3O2/c1-3-19-10(8-18-14(19)17)9-5-6-11(21-13(15)16)12(7-9)20-4-2/h5-7,10,13H,3-4,8H2,1-2H3,(H2,17,18)
InChIKeyLPEIUNRTYMZXTO-UHFFFAOYSA-N
XLogP2.38
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.38
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-ethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine (CID 79498489) is 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine is CCOc1cc(C2CN=C(N)N2CC)ccc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LPEIUNRTYMZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-3-19-10(8-18-14(19)17)9-5-6-11(21-13(15)16)12(7-9)20-4-2/h5-7,10,13H,3-4,8H2,1-2H3,(H2,17,18).
What are the key properties of 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine?
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 299.32 g/mol, XLogP of 2.38, 6 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-ethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).