1-(3-chlorobenzoyl)imidazolidin-2-one

C10H9ClN2O2 — CID 711851

IUPAC1-(3-chlorobenzoyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2O2/c11-8-3-1-2-7(6-8)9(14)13-5-4-12-10(13)15/h1-3,6H,4-5H2,(H,12,15)
InChIKeyBTROLKJFQYVFFC-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.51
Rot. Bonds1

About 1-(3-chlorobenzoyl)imidazolidin-2-one

1-(3-chlorobenzoyl)imidazolidin-2-one (PubChem CID 711851) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)imidazolidin-2-one
PubChem CID711851
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-(3-chlorobenzoyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2O2/c11-8-3-1-2-7(6-8)9(14)13-5-4-12-10(13)15/h1-3,6H,4-5H2,(H,12,15)
InChIKeyBTROLKJFQYVFFC-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)imidazolidin-2-one?
The IUPAC name of 1-(3-chlorobenzoyl)imidazolidin-2-one (CID 711851) is 1-(3-chlorobenzoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorobenzoyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorobenzoyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorobenzoyl)imidazolidin-2-one?
The InChIKey is BTROLKJFQYVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-8-3-1-2-7(6-8)9(14)13-5-4-12-10(13)15/h1-3,6H,4-5H2,(H,12,15).
What are the key properties of 1-(3-chlorobenzoyl)imidazolidin-2-one?
1-(3-chlorobenzoyl)imidazolidin-2-one has a molecular weight of 224.65 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)imidazolidin-2-one is sourced from PubChem (CID 711851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).