3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene

C69H62Br2Cl3F2N7O4 — CID 158580851

About 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene

3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene (PubChem CID 158580851) has the molecular formula C69H62Br2Cl3F2N7O4 and a molecular weight of 1357.46 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene.

Molecular Properties

• Compound Name: 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene
• PubChem CID: 158580851
• Molecular Formula: C69H62Br2Cl3F2N7O4
• Molecular Weight: 1357.46 g/mol
• Exact Mass: 1353.23
• IUPAC Name: 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene
• SMILES: C=Cc1ccc(F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(/C=C/c2ccc(F)cc2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(Br)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(Br)cc1
• InChI: InChI=1S/C26H22ClFN2O.C18H16BrClN2O.C10H9ClN2O2.C8H7F.C7H8BrN/c1-2-23-26(30-17-21(27)12-16-25(30)29-23)24(31)15-11-19-6-3-18(4-7-19)5-8-20-9-13-22(28)14-10-20;1-2-15-18(22-11-14(20)8-10-17(22)21-15)16(23)9-5-12-3-6-13(19)7-4-12;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-2-7-3-5-8(9)6-4-7;8-7-3-1-6(5-9)2-4-7/h3-10,12-14,16-17H,2,11,15H2,1H3;3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);2-6H,1H2;1-4H,5,9H2/b8-5+
• InChIKey: HTFVOCOEZMUHKV-RKAMWMKASA-N
• XLogP: 18.43
• TPSA: 149.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.46
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene?

The IUPAC name of 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene (CID 158580851) is 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene.

What is the SMILES notation for 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene?

The canonical SMILES for 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene is C=Cc1ccc(F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(/C=C/c2ccc(F)cc2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(Br)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(Br)cc1.

What is the InChIKey of 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene?

The InChIKey is HTFVOCOEZMUHKV-RKAMWMKASA-N. The full InChI is InChI=1S/C26H22ClFN2O.C18H16BrClN2O.C10H9ClN2O2.C8H7F.C7H8BrN/c1-2-23-26(30-17-21(27)12-16-25(30)29-23)24(31)15-11-19-6-3-18(4-7-19)5-8-20-9-13-22(28)14-10-20;1-2-15-18(22-11-14(20)8-10-17(22)21-15)16(23)9-5-12-3-6-13(19)7-4-12;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-2-7-3-5-8(9)6-4-7;8-7-3-1-6(5-9)2-4-7/h3-10,12-14,16-17H,2,11,15H2,1H3;3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);2-6H,1H2;1-4H,5,9H2/b8-5+;;;;.

What are the key properties of 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene?

3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene has a molecular weight of 1357.46 g/mol, XLogP of 18.43, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene is sourced from PubChem (CID 158580851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).