4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one

C10H10BrN3O — CID 138391344

IUPAC4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(C)cc1Br
InChIInChI=1S/C10H10BrN3O/c1-5-2-3-6(7(11)4-5)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyWHFYNDKULJXAGM-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.09
Rot. Bonds1

About 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one

4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one (PubChem CID 138391344) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
PubChem CID138391344
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1c1ccc(C)cc1Br
InChIInChI=1S/C10H10BrN3O/c1-5-2-3-6(7(11)4-5)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyWHFYNDKULJXAGM-UHFFFAOYSA-N
XLogP2.09
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one?
The IUPAC name of 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one (CID 138391344) is 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one.
What is the SMILES notation for 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one?
The canonical SMILES for 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)NC1c1ccc(C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one?
The InChIKey is WHFYNDKULJXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-5-2-3-6(7(11)4-5)8-9(12)14-10(15)13-8/h2-4,8H,1H3,(H3,12,13,14,15).
What are the key properties of 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one?
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one has a molecular weight of 268.11 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one is sourced from PubChem (CID 138391344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).