2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate

C16H21FN2O3 — CID 69252653

IUPAC2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)COC(=O)N1C(=O)NC(C)(C)C1c1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-10(2)9-22-15(21)19-13(16(3,4)18-14(19)20)11-7-5-6-8-12(11)17/h5-8,10,13H,9H2,1-4H3,(H,18,20)
InChIKeyBTBONUGCWZZAOX-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.46
Rot. Bonds3

About 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate

2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate (PubChem CID 69252653) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate
PubChem CID69252653
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)COC(=O)N1C(=O)NC(C)(C)C1c1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-10(2)9-22-15(21)19-13(16(3,4)18-14(19)20)11-7-5-6-8-12(11)17/h5-8,10,13H,9H2,1-4H3,(H,18,20)
InChIKeyBTBONUGCWZZAOX-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate (CID 69252653) is 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate is CC(C)COC(=O)N1C(=O)NC(C)(C)C1c1ccccc1F.
What is the InChIKey of 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate?
The InChIKey is BTBONUGCWZZAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10(2)9-22-15(21)19-13(16(3,4)18-14(19)20)11-7-5-6-8-12(11)17/h5-8,10,13H,9H2,1-4H3,(H,18,20).
What are the key properties of 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate?
2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-(2-fluorophenyl)-4,4-dimethyl-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 69252653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).