4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C18H23FN4O — CID 45231193

IUPAC4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESCc1ncc(CNC2CC(=O)N(CCc3ccc(F)cc3)C2)n1C
InChIInChI=1S/C18H23FN4O/c1-13-20-10-17(22(13)2)11-21-16-9-18(24)23(12-16)8-7-14-3-5-15(19)6-4-14/h3-6,10,16,21H,7-9,11-12H2,1-2H3
InChIKeyDISQUULHETZDRT-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.80
Rot. Bonds6

About 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 45231193) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID45231193
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESCc1ncc(CNC2CC(=O)N(CCc3ccc(F)cc3)C2)n1C
InChIInChI=1S/C18H23FN4O/c1-13-20-10-17(22(13)2)11-21-16-9-18(24)23(12-16)8-7-14-3-5-15(19)6-4-14/h3-6,10,16,21H,7-9,11-12H2,1-2H3
InChIKeyDISQUULHETZDRT-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 45231193) is 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is Cc1ncc(CNC2CC(=O)N(CCc3ccc(F)cc3)C2)n1C.
What is the InChIKey of 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is DISQUULHETZDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-20-10-17(22(13)2)11-21-16-9-18(24)23(12-16)8-7-14-3-5-15(19)6-4-14/h3-6,10,16,21H,7-9,11-12H2,1-2H3.
What are the key properties of 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45231193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).