3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine

C12H12F3N3O — CID 117190643

IUPAC3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine
SMILESCCn1c(N)cnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-2-18-10(16)7-17-11(18)19-9-6-4-3-5-8(9)12(13,14)15/h3-7H,2,16H2,1H3
InChIKeySWJUAAOULPJQIN-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.30
Rot. Bonds3

About 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine

3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine (PubChem CID 117190643) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine
PubChem CID117190643
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine
SMILESCCn1c(N)cnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-2-18-10(16)7-17-11(18)19-9-6-4-3-5-8(9)12(13,14)15/h3-7H,2,16H2,1H3
InChIKeySWJUAAOULPJQIN-UHFFFAOYSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine?
The IUPAC name of 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine (CID 117190643) is 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine is CCn1c(N)cnc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine?
The InChIKey is SWJUAAOULPJQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-18-10(16)7-17-11(18)19-9-6-4-3-5-8(9)12(13,14)15/h3-7H,2,16H2,1H3.
What are the key properties of 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine?
3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine has a molecular weight of 271.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine is sourced from PubChem (CID 117190643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).