1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one

C14H14F3N3O2 — CID 86791202

IUPAC1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCc2c1cccc2C(F)(F)F)N1CCNC1=O
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-2-1-3-11-9(10)4-6-19(11)8-12(21)20-7-5-18-13(20)22/h1-3H,4-8H2,(H,18,22)
InChIKeyIWJNJONMLVXDGD-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.62
Rot. Bonds2

About 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one (PubChem CID 86791202) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one
PubChem CID86791202
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCc2c1cccc2C(F)(F)F)N1CCNC1=O
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-2-1-3-11-9(10)4-6-19(11)8-12(21)20-7-5-18-13(20)22/h1-3H,4-8H2,(H,18,22)
InChIKeyIWJNJONMLVXDGD-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 17454682
1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 129480251
2-ethoxy-1-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 84600007
(2R)-1-methoxy-3-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-ol
CID 86815269
3-[[5-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137201188
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one
CID 8897146
2-fluoro-6-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]benzonitrile
CID 37122747
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897376
1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
1-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetyl]imidazolidin-2-one
CID 9288360
1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642919
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
CID 41402611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one (CID 86791202) is 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one is O=C(CN1CCc2c1cccc2C(F)(F)F)N1CCNC1=O.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is IWJNJONMLVXDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)10-2-1-3-11-9(10)4-6-19(11)8-12(21)20-7-5-18-13(20)22/h1-3H,4-8H2,(H,18,22).
What are the key properties of 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 313.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 86791202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).