3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione

C24H19ClN2O3 — CID 2161847

IUPAC3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SMILESC[C@H](C(=O)c1cccc(Cl)c1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H19ClN2O3/c1-16(21(28)17-9-8-14-20(25)15-17)27-22(29)24(26-23(27)30,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3,(H,26,30)/t16-/m1/s1
InChIKeyQMHZKEWKZMZWKS-MRXNPFEDSA-N
MW418.88 g/mol
LogP4.41
Rot. Bonds5

About 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione

3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 2161847) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID2161847
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SMILESC[C@H](C(=O)c1cccc(Cl)c1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H19ClN2O3/c1-16(21(28)17-9-8-14-20(25)15-17)27-22(29)24(26-23(27)30,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3,(H,26,30)/t16-/m1/s1
InChIKeyQMHZKEWKZMZWKS-MRXNPFEDSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione (CID 2161847) is 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione is C[C@H](C(=O)c1cccc(Cl)c1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is QMHZKEWKZMZWKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-16(21(28)17-9-8-14-20(25)15-17)27-22(29)24(26-23(27)30,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3,(H,26,30)/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 418.88 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 2161847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).