2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one

C14H19ClN2O — CID 83256713

IUPAC2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
SMILESCC(C)(C)CN1C(=O)CNC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-14(2,3)9-17-12(18)8-16-13(17)10-4-6-11(15)7-5-10/h4-7,13,16H,8-9H2,1-3H3
InChIKeyHCBMDVJNOXPJOM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.82
Rot. Bonds2

About 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one

2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one (PubChem CID 83256713) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
PubChem CID83256713
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
SMILESCC(C)(C)CN1C(=O)CNC1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-14(2,3)9-17-12(18)8-16-13(17)10-4-6-11(15)7-5-10/h4-7,13,16H,8-9H2,1-3H3
InChIKeyHCBMDVJNOXPJOM-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one (CID 83256713) is 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one is CC(C)(C)CN1C(=O)CNC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one?
The InChIKey is HCBMDVJNOXPJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2,3)9-17-12(18)8-16-13(17)10-4-6-11(15)7-5-10/h4-7,13,16H,8-9H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one?
2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one has a molecular weight of 266.77 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83256713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).