1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole

C12H13F3N2O2 — CID 151033169

IUPAC1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole
SMILESCOc1ccc(N2C=NCC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c1-18-9-2-3-10(17-5-4-16-8-17)11(6-9)19-7-12(13,14)15/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMAMOASAPAVQSNE-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole

1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole (PubChem CID 151033169) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole
PubChem CID151033169
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole
SMILESCOc1ccc(N2C=NCC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c1-18-9-2-3-10(17-5-4-16-8-17)11(6-9)19-7-12(13,14)15/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMAMOASAPAVQSNE-UHFFFAOYSA-N
XLogP2.48
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole (CID 151033169) is 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole is COc1ccc(N2C=NCC2)c(OCC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole?
The InChIKey is MAMOASAPAVQSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-18-9-2-3-10(17-5-4-16-8-17)11(6-9)19-7-12(13,14)15/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole?
1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole has a molecular weight of 274.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 151033169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).