4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C17H19F3N4O — CID 45181871

IUPAC4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCn1ccnc1CNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H19F3N4O/c1-23-7-6-21-15(23)9-22-13-8-16(25)24(11-13)10-12-4-2-3-5-14(12)17(18,19)20/h2-7,13,22H,8-11H2,1H3
InChIKeyTXFSAYSASGCUAD-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.33
Rot. Bonds5

About 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 45181871) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID45181871
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCn1ccnc1CNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H19F3N4O/c1-23-7-6-21-15(23)9-22-13-8-16(25)24(11-13)10-12-4-2-3-5-14(12)17(18,19)20/h2-7,13,22H,8-11H2,1H3
InChIKeyTXFSAYSASGCUAD-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[[(E)-2-methylbut-2-enyl]amino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 42245610
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45250962
N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 42095587
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 56913627
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
1-tert-butyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea
CID 45238724
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 45201917
3-methylsulfanyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
CID 42511312
4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95715611
4-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45223682
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56908965
methyl N-[(2S)-4-methyl-1-oxo-1-[[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pentan-2-yl]carbamate
CID 99785020

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 45181871) is 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is Cn1ccnc1CNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is TXFSAYSASGCUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-23-7-6-21-15(23)9-22-13-8-16(25)24(11-13)10-12-4-2-3-5-14(12)17(18,19)20/h2-7,13,22H,8-11H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 352.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methylamino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45181871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).