(3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

C18H19F2N3O2 — CID 124594066

IUPAC(3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCC[C@]1(c2ccc(C)cc2)CC(=O)N(Cc2nccn2C(F)F)C1=O
InChIInChI=1S/C18H19F2N3O2/c1-3-18(13-6-4-12(2)5-7-13)10-15(24)23(16(18)25)11-14-21-8-9-22(14)17(19)20/h4-9,17H,3,10-11H2,1-2H3/t18-/m1/s1
InChIKeyWPBDTCIBIYKGGZ-GOSISDBHSA-N
MW347.37 g/mol
LogP3.19
Rot. Bonds5

About (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

(3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 124594066) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID124594066
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCC[C@]1(c2ccc(C)cc2)CC(=O)N(Cc2nccn2C(F)F)C1=O
InChIInChI=1S/C18H19F2N3O2/c1-3-18(13-6-4-12(2)5-7-13)10-15(24)23(16(18)25)11-14-21-8-9-22(14)17(19)20/h4-9,17H,3,10-11H2,1-2H3/t18-/m1/s1
InChIKeyWPBDTCIBIYKGGZ-GOSISDBHSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione (CID 124594066) is (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione is CC[C@]1(c2ccc(C)cc2)CC(=O)N(Cc2nccn2C(F)F)C1=O.
What is the InChIKey of (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is WPBDTCIBIYKGGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-3-18(13-6-4-12(2)5-7-13)10-15(24)23(16(18)25)11-14-21-8-9-22(14)17(19)20/h4-9,17H,3,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione?
(3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 347.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethyl-3-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 124594066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).