(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

C20H17BrN4O3S — CID 26012130

About (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 26012130) has the molecular formula C20H17BrN4O3S and a molecular weight of 473.35 g/mol. Its IUPAC name is (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 26012130
• Molecular Formula: C20H17BrN4O3S
• Molecular Weight: 473.35 g/mol
• Exact Mass: 472.02
• IUPAC Name: (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
• SMILES: C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nnc(-c3ccc(Br)s3)o2)C1=O
• InChI: InChI=1S/C20H17BrN4O3S/c1-20(13-6-5-11-3-2-4-12(11)9-13)18(26)25(19(27)22-20)10-16-23-24-17(28-16)14-7-8-15(21)29-14/h5-9H,2-4,10H2,1H3,(H,22,27)/t20-/m1/s1
• InChIKey: QVOFPCNBMZKPAE-HXUWFJFHSA-N
• XLogP: 4.02
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.35
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (CID 26012130) is (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)CCC3)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-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?

The InChIKey is QVOFPCNBMZKPAE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17BrN4O3S/c1-20(13-6-5-11-3-2-4-12(11)9-13)18(26)25(19(27)22-20)10-16-23-24-17(28-16)14-7-8-15(21)29-14/h5-9H,2-4,10H2,1H3,(H,22,27)/t20-/m1/s1.

What are the key properties of (5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?

(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 473.35 g/mol, XLogP of 4.02, 4 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-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 26012130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).