2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one

C20H17F3N2O — CID 164675215

IUPAC2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
SMILESO=C1N2CCC(CC(F)(F)F)C2=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17F3N2O/c21-19(22,23)13-14-11-12-25-17(14)24-20(18(25)26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyJWIPHSLCIPDOHC-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.14
Rot. Bonds3

About 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one

2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one (PubChem CID 164675215) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one.

Molecular Properties

Compound Name2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
PubChem CID164675215
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
SMILESO=C1N2CCC(CC(F)(F)F)C2=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17F3N2O/c21-19(22,23)13-14-11-12-25-17(14)24-20(18(25)26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyJWIPHSLCIPDOHC-UHFFFAOYSA-N
XLogP4.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
The IUPAC name of 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one (CID 164675215) is 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one.
What is the SMILES notation for 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
The canonical SMILES for 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one is O=C1N2CCC(CC(F)(F)F)C2=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
The InChIKey is JWIPHSLCIPDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c21-19(22,23)13-14-11-12-25-17(14)24-20(18(25)26,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2.
What are the key properties of 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one has a molecular weight of 358.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one is sourced from PubChem (CID 164675215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).