1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C64H68N16O — CID 159825330

About 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159825330) has the molecular formula C64H68N16O and a molecular weight of 1077.36 g/mol. Its IUPAC name is 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 159825330
• Molecular Formula: C64H68N16O
• Molecular Weight: 1077.36 g/mol
• Exact Mass: 1076.58
• IUPAC Name: 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: CN1CCN(C2CC(c3nc(-c4ccc5c(c4)nc(-c4ccccc4)n5C)c4c(N)nccn34)C2)CC1.Nc1nccn2cnc(-c3ccc4c(c3)nc(-c3ccccc3)n4Cc3ccccc3)c12.O=CN1CCN(C2CCC2)CC1
• InChI: InChI=1S/C29H32N8.C26H20N6.C9H16N2O/c1-34-12-14-36(15-13-34)22-16-21(17-22)29-33-25(26-27(30)31-10-11-37(26)29)20-8-9-24-23(18-20)32-28(35(24)2)19-6-4-3-5-7-19;27-25-24-23(29-17-31(24)14-13-28-25)20-11-12-22-21(15-20)30-26(19-9-5-2-6-10-19)32(22)16-18-7-3-1-4-8-18;12-8-10-4-6-11(7-5-10)9-2-1-3-9/h3-11,18,21-22H,12-17H2,1-2H3,(H2,30,31);1-15,17H,16H2,(H2,27,28);8-9H,1-7H2
• InChIKey: NMTLTUDEZOMVHB-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 178.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.36
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 159825330) is 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CN1CCN(C2CC(c3nc(-c4ccc5c(c4)nc(-c4ccccc4)n5C)c4c(N)nccn34)C2)CC1.Nc1nccn2cnc(-c3ccc4c(c3)nc(-c3ccccc3)n4Cc3ccccc3)c12.O=CN1CCN(C2CCC2)CC1.

What is the InChIKey of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is NMTLTUDEZOMVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8.C26H20N6.C9H16N2O/c1-34-12-14-36(15-13-34)22-16-21(17-22)29-33-25(26-27(30)31-10-11-37(26)29)20-8-9-24-23(18-20)32-28(35(24)2)19-6-4-3-5-7-19;27-25-24-23(29-17-31(24)14-13-28-25)20-11-12-22-21(15-20)30-26(19-9-5-2-6-10-19)32(22)16-18-7-3-1-4-8-18;12-8-10-4-6-11(7-5-10)9-2-1-3-9/h3-11,18,21-22H,12-17H2,1-2H3,(H2,30,31);1-15,17H,16H2,(H2,27,28);8-9H,1-7H2.

What are the key properties of 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1077.36 g/mol, XLogP of 9.38, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159825330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).