1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C11H18F3N3O — CID 120905300

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1(CN2CC(=O)N(CC(F)(F)F)C2)CCNC1
InChIInChI=1S/C11H18F3N3O/c1-10(2-3-15-5-10)6-16-4-9(18)17(8-16)7-11(12,13)14/h15H,2-8H2,1H3
InChIKeyOJICNSKVWLDLSM-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.65
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 120905300) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID120905300
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1(CN2CC(=O)N(CC(F)(F)F)C2)CCNC1
InChIInChI=1S/C11H18F3N3O/c1-10(2-3-15-5-10)6-16-4-9(18)17(8-16)7-11(12,13)14/h15H,2-8H2,1H3
InChIKeyOJICNSKVWLDLSM-UHFFFAOYSA-N
XLogP0.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,4-Difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 166711579
5-Methyl-3-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265882
3-(4-Amino-3,3-dimethylbutyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 65246746
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 72010912
2-Propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83250597
2-(2-Methylpropyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251704
2-(2-Methylpropyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254440
2-Propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254930
2-Propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259769
2-Methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260296
2-Propyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260380
2-(2-Methylpropyl)-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83260559

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 120905300) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC1(CN2CC(=O)N(CC(F)(F)F)C2)CCNC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is OJICNSKVWLDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-10(2-3-15-5-10)6-16-4-9(18)17(8-16)7-11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 265.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 120905300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).