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

C77H75N23O4 — CID 158878461

About 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen (PubChem CID 158878461) has the molecular formula C77H75N23O4 and a molecular weight of 1386.60 g/mol. Its IUPAC name is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen
• PubChem CID: 158878461
• Molecular Formula: C77H75N23O4
• Molecular Weight: 1386.60 g/mol
• Exact Mass: 1385.64
• IUPAC Name: 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H20N6O2.C20H18N6O.C18H12N6.C18H15N5O.5H2/c22-19-18(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;19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24;;;;;/h1-2,4-9,12,28H,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);1-9,24H,10H2,(H2,19,20)(H,22,23);5*1H
• InChIKey: JCSUDPWJIFKZMT-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 444.37 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1386.60
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen (CID 158878461) is 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1.[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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen?

The InChIKey is JCSUDPWJIFKZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C20H18N6O.C18H12N6.C18H15N5O.5H2/c22-19-18(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;19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24;;;;;/h1-2,4-9,12,28H,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);1-9,24H,10H2,(H2,19,20)(H,22,23);5*1H.

What are the key properties of 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;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;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen has a molecular weight of 1386.60 g/mol, XLogP of 12.42, 15 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen is sourced from PubChem (CID 158878461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).