tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate

C14H17IN2O3 — CID 167451550

IUPACtert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)NCC1c1ccc(I)cc1
InChIInChI=1S/C14H17IN2O3/c1-14(2,3)20-13(19)17-11(8-16-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,18)
InChIKeySJDYGELEQFJLEH-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate

tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate (PubChem CID 167451550) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate
PubChem CID167451550
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC Nametert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)NCC1c1ccc(I)cc1
InChIInChI=1S/C14H17IN2O3/c1-14(2,3)20-13(19)17-11(8-16-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,18)
InChIKeySJDYGELEQFJLEH-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-5-(4-iodophenyl)-4,5-dihydroimidazole-1-carboxylate
CID 70961615
tert-butyl (4S)-4-(4-iodophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67151646
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
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CID 24813040
tert-butyl 3-oxo-5-phenylpyrazolidine-1-carboxylate
CID 102258450
tert-butyl (2S)-2-(4-chlorophenyl)piperazine-1-carboxylate
CID 51556790
tert-butyl 2-(4-chlorophenyl)-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 90964644
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (1S,4R)-2-iodo-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 153386486
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CID 12056204

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate (CID 167451550) is tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)NCC1c1ccc(I)cc1.
What is the InChIKey of tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate?
The InChIKey is SJDYGELEQFJLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c1-14(2,3)20-13(19)17-11(8-16-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate?
tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate has a molecular weight of 388.21 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(4-iodophenyl)-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 167451550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).