1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one

C12H15ClN2O — CID 66545139

IUPAC1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one
SMILESCC1(C)CNC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)15(12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyXUDCGBBALDNPIO-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.64
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one

1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one (PubChem CID 66545139) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one
PubChem CID66545139
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one
SMILESCC1(C)CNC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)15(12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyXUDCGBBALDNPIO-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.64
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]-5,5-dimethylimidazolidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one (CID 66545139) is 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one is CC1(C)CNC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one?
The InChIKey is XUDCGBBALDNPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)15(12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one?
1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.64, 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]-5,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 66545139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).