1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one

C11H11BrN2O2 — CID 81472101

IUPAC1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CCNC2=O)cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-7-2-3-8(6-9(7)12)10(15)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKeyYQCLOBOHQKXSKE-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one

1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one (PubChem CID 81472101) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one
PubChem CID81472101
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CCNC2=O)cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-7-2-3-8(6-9(7)12)10(15)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKeyYQCLOBOHQKXSKE-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one?
The IUPAC name of 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one (CID 81472101) is 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one is Cc1ccc(C(=O)N2CCNC2=O)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one?
The InChIKey is YQCLOBOHQKXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-2-3-8(6-9(7)12)10(15)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16).
What are the key properties of 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one?
1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one has a molecular weight of 283.12 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one is sourced from PubChem (CID 81472101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).