5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one

C16H23ClN2O2 — CID 83246998

IUPAC5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(Cl)cc2)N(CCOC)C1=O
InChIInChI=1S/C16H23ClN2O2/c1-4-11(2)14-16(20)19(9-10-21-3)15(18-14)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,4,9-10H2,1-3H3
InChIKeyFWIFVBGVOOLARO-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.83
Rot. Bonds6

About 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one

5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one (PubChem CID 83246998) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one
PubChem CID83246998
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(Cl)cc2)N(CCOC)C1=O
InChIInChI=1S/C16H23ClN2O2/c1-4-11(2)14-16(20)19(9-10-21-3)15(18-14)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,4,9-10H2,1-3H3
InChIKeyFWIFVBGVOOLARO-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one (CID 83246998) is 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one is CCC(C)C1NC(c2ccc(Cl)cc2)N(CCOC)C1=O.
What is the InChIKey of 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one?
The InChIKey is FWIFVBGVOOLARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-11(2)14-16(20)19(9-10-21-3)15(18-14)12-5-7-13(17)8-6-12/h5-8,11,14-15,18H,4,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one?
5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one has a molecular weight of 310.82 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one is sourced from PubChem (CID 83246998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).