(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C19H17BrN4O3S — CID 40804697

IUPAC(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccc(Br)s3)o2)C1=O
InChIInChI=1S/C19H17BrN4O3S/c1-19(10-9-12-5-3-2-4-6-12)17(25)24(18(26)21-19)11-15-22-23-16(27-15)13-7-8-14(20)28-13/h2-8H,9-11H2,1H3,(H,21,26)/t19-/m1/s1
InChIKeyGRNPWETXBGPSOA-LJQANCHMSA-N
MW461.34 g/mol
LogP4.00
Rot. Bonds6

About (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 40804697) has the molecular formula C19H17BrN4O3S and a molecular weight of 461.34 g/mol. Its IUPAC name is (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID40804697
Molecular FormulaC19H17BrN4O3S
Molecular Weight461.34 g/mol
Exact Mass460.02
IUPAC Name(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccc(Br)s3)o2)C1=O
InChIInChI=1S/C19H17BrN4O3S/c1-19(10-9-12-5-3-2-4-6-12)17(25)24(18(26)21-19)11-15-22-23-16(27-15)13-7-8-14(20)28-13/h2-8H,9-11H2,1H3,(H,21,26)/t19-/m1/s1
InChIKeyGRNPWETXBGPSOA-LJQANCHMSA-N
XLogP4.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 40804697) is (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@]1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccc(Br)s3)o2)C1=O.
What is the InChIKey of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is GRNPWETXBGPSOA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17BrN4O3S/c1-19(10-9-12-5-3-2-4-6-12)17(25)24(18(26)21-19)11-15-22-23-16(27-15)13-7-8-14(20)28-13/h2-8H,9-11H2,1H3,(H,21,26)/t19-/m1/s1.
What are the key properties of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 461.34 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40804697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).