propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate

C20H20FN3O4 — CID 58000081

IUPACpropan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN3O4/c1-13(2)28-20(27)18-16(4-3-9-22-18)19(26)24-11-17(25)23(12-24)10-14-5-7-15(21)8-6-14/h3-9,13H,10-12H2,1-2H3
InChIKeyOXVHLBCKBUKIBO-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.23
Rot. Bonds5

About propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate

propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 58000081) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
PubChem CID58000081
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Namepropan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN3O4/c1-13(2)28-20(27)18-16(4-3-9-22-18)19(26)24-11-17(25)23(12-24)10-14-5-7-15(21)8-6-14/h3-9,13H,10-12H2,1-2H3
InChIKeyOXVHLBCKBUKIBO-UHFFFAOYSA-N
XLogP2.23
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate (CID 58000081) is propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate is CC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is OXVHLBCKBUKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13(2)28-20(27)18-16(4-3-9-22-18)19(26)24-11-17(25)23(12-24)10-14-5-7-15(21)8-6-14/h3-9,13H,10-12H2,1-2H3.
What are the key properties of propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate?
propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-[(4-fluorophenyl)methyl]-4-oxoimidazolidine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 58000081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).