1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione

C16H13ClN2O3S — CID 51932759

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C16H13ClN2O3S/c1-10(11-5-3-2-4-6-11)19-15(21)14(20)18(16(19)22)9-12-7-8-13(17)23-12/h2-8,10H,9H2,1H3/t10-/m1/s1
InChIKeyTVWVKNZFQFZBCL-SNVBAGLBSA-N
MW348.81 g/mol
LogP3.45
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione

1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione (PubChem CID 51932759) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
PubChem CID51932759
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C16H13ClN2O3S/c1-10(11-5-3-2-4-6-11)19-15(21)14(20)18(16(19)22)9-12-7-8-13(17)23-12/h2-8,10H,9H2,1H3/t10-/m1/s1
InChIKeyTVWVKNZFQFZBCL-SNVBAGLBSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione (CID 51932759) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione is C[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The InChIKey is TVWVKNZFQFZBCL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-10(11-5-3-2-4-6-11)19-15(21)14(20)18(16(19)22)9-12-7-8-13(17)23-12/h2-8,10H,9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione has a molecular weight of 348.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 51932759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).