(5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione

C15H13ClN2O2S — CID 52878502

IUPAC(5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H13ClN2O2S/c1-15(11-7-8-12(16)21-11)13(19)18(14(20)17-15)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyLMKWMRFVEWQVDA-HNNXBMFYSA-N
MW320.80 g/mol
LogP3.37
Rot. Bonds3

About (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 52878502) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID52878502
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name(5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H13ClN2O2S/c1-15(11-7-8-12(16)21-11)13(19)18(14(20)17-15)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyLMKWMRFVEWQVDA-HNNXBMFYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.37
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 (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione (CID 52878502) is (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LMKWMRFVEWQVDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-15(11-7-8-12(16)21-11)13(19)18(14(20)17-15)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 320.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52878502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).