4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen

C81H89FN24O5 — CID 157469767

About 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen

4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen (PubChem CID 157469767) has the molecular formula C81H89FN24O5 and a molecular weight of 1497.76 g/mol. Its IUPAC name is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen
• PubChem CID: 157469767
• Molecular Formula: C81H89FN24O5
• Molecular Weight: 1497.76 g/mol
• Exact Mass: 1496.74
• IUPAC Name: 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen
• SMILES: CC(=O)NCc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)NCCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H19FN6O2.C21H20N6O2.C20H18N6O.C18H12N6.10H2/c23-15-6-5-13(11-14(15)22(30)29-7-9-31-10-8-29)18-12-25-20(24)19(26-18)21-27-16-3-1-2-4-17(16)28-21;22-19-18(20-26-15-4-1-2-5-16(15)27-20)25-17(12-24-19)13-6-8-14(9-7-13)21(29)23-10-3-11-28;1-12(27)22-10-13-6-8-14(9-7-13)17-11-23-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20;19-9-11-5-7-12(8-6-11)15-10-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;;;;;;;;;;/h1-6,11-12H,7-10H2,(H2,24,25)(H,27,28);1-2,4-9,12,28H,3,10-11H2,(H2,22,24)(H,23,29)(H,26,27);2-9,11H,10H2,1H3,(H2,21,23)(H,22,27)(H,25,26);1-8,10H,(H2,20,21)(H,23,24);10*1H
• InChIKey: BUWXFNLSFAVQAA-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 453.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1497.76
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen?

The IUPAC name of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen (CID 157469767) is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen.

What is the SMILES notation for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen?

The canonical SMILES for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen is CC(=O)NCc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.N#Cc1ccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)NCCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen?

The InChIKey is BUWXFNLSFAVQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2.C21H20N6O2.C20H18N6O.C18H12N6.10H2/c23-15-6-5-13(11-14(15)22(30)29-7-9-31-10-8-29)18-12-25-20(24)19(26-18)21-27-16-3-1-2-4-17(16)28-21;22-19-18(20-26-15-4-1-2-5-16(15)27-20)25-17(12-24-19)13-6-8-14(9-7-13)21(29)23-10-3-11-28;1-12(27)22-10-13-6-8-14(9-7-13)17-11-23-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20;19-9-11-5-7-12(8-6-11)15-10-21-17(20)16(22-15)18-23-13-3-1-2-4-14(13)24-18;;;;;;;;;;/h1-6,11-12H,7-10H2,(H2,24,25)(H,27,28);1-2,4-9,12,28H,3,10-11H2,(H2,22,24)(H,23,29)(H,26,27);2-9,11H,10H2,1H3,(H2,21,23)(H,22,27)(H,25,26);1-8,10H,(H2,20,21)(H,23,24);10*1H.

What are the key properties of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen?

4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen has a molecular weight of 1497.76 g/mol, XLogP of 13.77, 15 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen is sourced from PubChem (CID 157469767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).