5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one

C10H19IN2O — CID 137435563

IUPAC5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one
SMILESCC(C)(C)C1CNC(=O)N1C(C)(C)I
InChIInChI=1S/C10H19IN2O/c1-9(2,3)7-6-12-8(14)13(7)10(4,5)11/h7H,6H2,1-5H3,(H,12,14)
InChIKeyGCJRJEMUEYONLV-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.60
Rot. Bonds1

About 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one

5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one (PubChem CID 137435563) has the molecular formula C10H19IN2O and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one
PubChem CID137435563
Molecular FormulaC10H19IN2O
Molecular Weight310.18 g/mol
Exact Mass310.05
IUPAC Name5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one
SMILESCC(C)(C)C1CNC(=O)N1C(C)(C)I
InChIInChI=1S/C10H19IN2O/c1-9(2,3)7-6-12-8(14)13(7)10(4,5)11/h7H,6H2,1-5H3,(H,12,14)
InChIKeyGCJRJEMUEYONLV-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 123826224
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one?
The IUPAC name of 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one (CID 137435563) is 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one?
The canonical SMILES for 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one is CC(C)(C)C1CNC(=O)N1C(C)(C)I.
What is the InChIKey of 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one?
The InChIKey is GCJRJEMUEYONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2O/c1-9(2,3)7-6-12-8(14)13(7)10(4,5)11/h7H,6H2,1-5H3,(H,12,14).
What are the key properties of 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one?
5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one has a molecular weight of 310.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-iodopropan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 137435563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).