1-iodo-3,4,5-trimethylimidazolidin-2-one

C6H11IN2O — CID 154991596

IUPAC1-iodo-3,4,5-trimethylimidazolidin-2-one
SMILESCC1C(C)N(I)C(=O)N1C
InChIInChI=1S/C6H11IN2O/c1-4-5(2)9(7)6(10)8(4)3/h4-5H,1-3H3
InChIKeyRWXJYRHKUPOUSR-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.48
Rot. Bonds

About 1-iodo-3,4,5-trimethylimidazolidin-2-one

1-iodo-3,4,5-trimethylimidazolidin-2-one (PubChem CID 154991596) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is 1-iodo-3,4,5-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-iodo-3,4,5-trimethylimidazolidin-2-one
PubChem CID154991596
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name1-iodo-3,4,5-trimethylimidazolidin-2-one
SMILESCC1C(C)N(I)C(=O)N1C
InChIInChI=1S/C6H11IN2O/c1-4-5(2)9(7)6(10)8(4)3/h4-5H,1-3H3
InChIKeyRWXJYRHKUPOUSR-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3,4,5-trimethylimidazolidin-2-one?
The IUPAC name of 1-iodo-3,4,5-trimethylimidazolidin-2-one (CID 154991596) is 1-iodo-3,4,5-trimethylimidazolidin-2-one.
What is the SMILES notation for 1-iodo-3,4,5-trimethylimidazolidin-2-one?
The canonical SMILES for 1-iodo-3,4,5-trimethylimidazolidin-2-one is CC1C(C)N(I)C(=O)N1C.
What is the InChIKey of 1-iodo-3,4,5-trimethylimidazolidin-2-one?
The InChIKey is RWXJYRHKUPOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2O/c1-4-5(2)9(7)6(10)8(4)3/h4-5H,1-3H3.
What are the key properties of 1-iodo-3,4,5-trimethylimidazolidin-2-one?
1-iodo-3,4,5-trimethylimidazolidin-2-one has a molecular weight of 254.07 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3,4,5-trimethylimidazolidin-2-one is sourced from PubChem (CID 154991596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).