1-[(4-chlorophenyl)methyl]imidazolidin-2-one

C10H11ClN2O — CID 5076481

IUPAC1-[(4-chlorophenyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
InChIKeyVGAYAKUGIATWRR-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.87
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]imidazolidin-2-one

1-[(4-chlorophenyl)methyl]imidazolidin-2-one (PubChem CID 5076481) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]imidazolidin-2-one
PubChem CID5076481
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-[(4-chlorophenyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
InChIKeyVGAYAKUGIATWRR-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]imidazolidin-2-one (CID 5076481) is 1-[(4-chlorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]imidazolidin-2-one?
The InChIKey is VGAYAKUGIATWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14).
What are the key properties of 1-[(4-chlorophenyl)methyl]imidazolidin-2-one?
1-[(4-chlorophenyl)methyl]imidazolidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 5076481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).