(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C16H13ClN2O4S — CID 71900069

IUPAC(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1ccc(Cl)s1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C16H13ClN2O4S/c17-13-6-5-12(24-13)9-23-15(21)11-3-1-10(2-4-11)8-19-14(20)7-18-16(19)22/h1-6H,7-9H2,(H,18,22)
InChIKeyPOVRWDFJPQWJEY-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.81
Rot. Bonds5

About (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 71900069) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID71900069
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC Name(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1ccc(Cl)s1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C16H13ClN2O4S/c17-13-6-5-12(24-13)9-23-15(21)11-3-1-10(2-4-11)8-19-14(20)7-18-16(19)22/h1-6H,7-9H2,(H,18,22)
InChIKeyPOVRWDFJPQWJEY-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 71900069) is (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(OCc1ccc(Cl)s1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is POVRWDFJPQWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c17-13-6-5-12(24-13)9-23-15(21)11-3-1-10(2-4-11)8-19-14(20)7-18-16(19)22/h1-6H,7-9H2,(H,18,22).
What are the key properties of (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 364.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 71900069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).