benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate

C58H57Br2N7O7 — CID 159123051

About benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 159123051) has the molecular formula C58H57Br2N7O7 and a molecular weight of 1123.94 g/mol. Its IUPAC name is benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
• PubChem CID: 159123051
• Molecular Formula: C58H57Br2N7O7
• Molecular Weight: 1123.94 g/mol
• Exact Mass: 1121.27
• IUPAC Name: benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
• SMILES: O=C(CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3)c2n1.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(Br)c2n1
• InChI: InChI=1S/C25H23N3O2.C19H18BrN3O2.C14H16BrNO3/c29-25(30-18-19-9-3-1-4-10-19)28-16-8-14-23(28)22-17-27-15-7-13-21(24(27)26-22)20-11-5-2-6-12-20;20-15-8-4-10-22-12-16(21-18(15)22)17-9-5-11-23(17)19(24)25-13-14-6-2-1-3-7-14;15-9-13(17)12-7-4-8-16(12)14(18)19-10-11-5-2-1-3-6-11/h1-7,9-13,15,17,23H,8,14,16,18H2;1-4,6-8,10,12,17H,5,9,11,13H2;1-3,5-6,12H,4,7-10H2/t23-;17-;12-/m000/s1
• InChIKey: KFYAMZQEPHGFDW-BDAMVDOJSA-N
• XLogP: 12.80
• TPSA: 140.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.94
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

The IUPAC name of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 159123051) is benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate.

What is the SMILES notation for benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

The canonical SMILES for benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate is O=C(CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3)c2n1.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(Br)c2n1.

What is the InChIKey of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

The InChIKey is KFYAMZQEPHGFDW-BDAMVDOJSA-N. The full InChI is InChI=1S/C25H23N3O2.C19H18BrN3O2.C14H16BrNO3/c29-25(30-18-19-9-3-1-4-10-19)28-16-8-14-23(28)22-17-27-15-7-13-21(24(27)26-22)20-11-5-2-6-12-20;20-15-8-4-10-22-12-16(21-18(15)22)17-9-5-11-23(17)19(24)25-13-14-6-2-1-3-7-14;15-9-13(17)12-7-4-8-16(12)14(18)19-10-11-5-2-1-3-6-11/h1-7,9-13,15,17,23H,8,14,16,18H2;1-4,6-8,10,12,17H,5,9,11,13H2;1-3,5-6,12H,4,7-10H2/t23-;17-;12-/m000/s1.

What are the key properties of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 1123.94 g/mol, XLogP of 12.80, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 159123051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).