3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene

C79H81BrN12O8 — CID 167604676

About 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene

3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene (PubChem CID 167604676) has the molecular formula C79H81BrN12O8 and a molecular weight of 1406.50 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene
• PubChem CID: 167604676
• Molecular Formula: C79H81BrN12O8
• Molecular Weight: 1406.50 g/mol
• Exact Mass: 1404.55
• IUPAC Name: 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene
• SMILES: Brc1cnc2cnccn12.CCOC(=O)CC.Cc1ccc(-c2cnc3cnccn23)cc1.Cc1ccc(C(C)O)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(CC(=O)COc2ccc(-c3cnc4cnccn34)cc2)cc1C.O=C(O)COc1ccc(-c2cnc3cnccn23)cc1
• InChI: InChI=1S/C23H21N3O2.C14H11N3O3.C13H11N3.C9H12O.C9H12.C6H4BrN3.C5H10O2/c1-16-3-4-18(11-17(16)2)12-20(27)15-28-21-7-5-19(6-8-21)22-13-25-23-14-24-9-10-26(22)23;18-14(19)9-20-11-3-1-10(2-4-11)12-7-16-13-8-15-5-6-17(12)13;1-10-2-4-11(5-3-10)12-8-15-13-9-14-6-7-16(12)13;1-7-3-5-9(6-4-7)8(2)10;1-7-4-5-8(2)9(3)6-7;7-5-3-9-6-4-8-1-2-10(5)6;1-3-5(6)7-4-2/h3-11,13-14H,12,15H2,1-2H3;1-8H,9H2,(H,18,19);2-9H,1H3;3-6,8,10H,1-2H3;4-6H,1-3H3;1-4H;3-4H2,1-2H3
• InChIKey: KFHCGPFIDAPAHY-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 240.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.50
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene?

The IUPAC name of 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene (CID 167604676) is 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene.

What is the SMILES notation for 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene?

The canonical SMILES for 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene is Brc1cnc2cnccn12.CCOC(=O)CC.Cc1ccc(-c2cnc3cnccn23)cc1.Cc1ccc(C(C)O)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(CC(=O)COc2ccc(-c3cnc4cnccn34)cc2)cc1C.O=C(O)COc1ccc(-c2cnc3cnccn23)cc1.

What is the InChIKey of 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene?

The InChIKey is KFHCGPFIDAPAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C14H11N3O3.C13H11N3.C9H12O.C9H12.C6H4BrN3.C5H10O2/c1-16-3-4-18(11-17(16)2)12-20(27)15-28-21-7-5-19(6-8-21)22-13-25-23-14-24-9-10-26(22)23;18-14(19)9-20-11-3-1-10(2-4-11)12-7-16-13-8-15-5-6-17(12)13;1-10-2-4-11(5-3-10)12-8-15-13-9-14-6-7-16(12)13;1-7-3-5-9(6-4-7)8(2)10;1-7-4-5-8(2)9(3)6-7;7-5-3-9-6-4-8-1-2-10(5)6;1-3-5(6)7-4-2/h3-11,13-14H,12,15H2,1-2H3;1-8H,9H2,(H,18,19);2-9H,1H3;3-6,8,10H,1-2H3;4-6H,1-3H3;1-4H;3-4H2,1-2H3.

What are the key properties of 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene?

3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene has a molecular weight of 1406.50 g/mol, XLogP of 15.88, 14 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromoimidazo[1,2-a]pyrazine;1-(3,4-dimethylphenyl)-3-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)propan-2-one;ethyl propanoate;2-(4-imidazo[1,2-a]pyrazin-3-ylphenoxy)acetic acid;1-(4-methylphenyl)ethanol;3-(4-methylphenyl)imidazo[1,2-a]pyrazine;1,2,4-trimethylbenzene is sourced from PubChem (CID 167604676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).