(5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C26H20N4O4S — CID 24890721

IUPAC(5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ccccc5s4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H20N4O4S/c1-34-18-11-8-16-13-30(23(31)19(16)12-18)14-26(24(32)28-25(33)29-26)17-9-6-15(7-10-17)22-27-20-4-2-3-5-21(20)35-22/h2-12H,13-14H2,1H3,(H2,28,29,32,33)/t26-/m0/s1
InChIKeyVOOKFNLTKTVFRG-SANMLTNESA-N
MW484.54 g/mol
LogP3.66
Rot. Bonds5

About (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 24890721) has the molecular formula C26H20N4O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID24890721
Molecular FormulaC26H20N4O4S
Molecular Weight484.54 g/mol
Exact Mass484.12
IUPAC Name(5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ccccc5s4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H20N4O4S/c1-34-18-11-8-16-13-30(23(31)19(16)12-18)14-26(24(32)28-25(33)29-26)17-9-6-15(7-10-17)22-27-20-4-2-3-5-21(20)35-22/h2-12H,13-14H2,1H3,(H2,28,29,32,33)/t26-/m0/s1
InChIKeyVOOKFNLTKTVFRG-SANMLTNESA-N
XLogP3.66
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 24890721) is (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ccccc5s4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VOOKFNLTKTVFRG-SANMLTNESA-N. The full InChI is InChI=1S/C26H20N4O4S/c1-34-18-11-8-16-13-30(23(31)19(16)12-18)14-26(24(32)28-25(33)29-26)17-9-6-15(7-10-17)22-27-20-4-2-3-5-21(20)35-22/h2-12H,13-14H2,1H3,(H2,28,29,32,33)/t26-/m0/s1.
What are the key properties of (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 484.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24890721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).