2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide

C66H66N22O9 — CID 158669251

About 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide

2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide (PubChem CID 158669251) has the molecular formula C66H66N22O9 and a molecular weight of 1311.40 g/mol. Its IUPAC name is 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide
• PubChem CID: 158669251
• Molecular Formula: C66H66N22O9
• Molecular Weight: 1311.40 g/mol
• Exact Mass: 1310.54
• IUPAC Name: 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1.C[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cn1.NCC(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1
• InChI: InChI=1S/C26H29N9O3.C21H20N6O3.C19H17N7O3/c1-17(7-4-5-12-27)26(37)32-22-11-10-18(15-30-22)21(36)16-35-20-9-3-2-8-19(20)31-25(35)23-24(34-38-33-23)29-14-6-13-28;1-12(2)21(29)23-14-9-7-13(8-10-14)17(28)11-27-16-6-4-3-5-15(16)24-20(27)18-19(22)26-30-25-18;20-9-16(28)22-12-7-5-11(6-8-12)15(27)10-26-14-4-2-1-3-13(14)23-19(26)17-18(21)25-29-24-17/h2-3,8-11,15,17H,4-7,12,14,16,27H2,1H3,(H,29,34)(H,30,32,37);3-10,12H,11H2,1-2H3,(H2,22,26)(H,23,29);1-8H,9-10,20H2,(H2,21,25)(H,22,28)/t17-;;/m0../s1
• InChIKey: IDSYAPHYRHEIDQ-RMRYJAPISA-N
• XLogP: 7.99
• TPSA: 461.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1311.40
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide (CID 158669251) is 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1.C[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cn1.NCC(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1.

What is the InChIKey of 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide?

The InChIKey is IDSYAPHYRHEIDQ-RMRYJAPISA-N. The full InChI is InChI=1S/C26H29N9O3.C21H20N6O3.C19H17N7O3/c1-17(7-4-5-12-27)26(37)32-22-11-10-18(15-30-22)21(36)16-35-20-9-3-2-8-19(20)31-25(35)23-24(34-38-33-23)29-14-6-13-28;1-12(2)21(29)23-14-9-7-13(8-10-14)17(28)11-27-16-6-4-3-5-15(16)24-20(27)18-19(22)26-30-25-18;20-9-16(28)22-12-7-5-11(6-8-12)15(27)10-26-14-4-2-1-3-13(14)23-19(26)17-18(21)25-29-24-17/h2-3,8-11,15,17H,4-7,12,14,16,27H2,1H3,(H,29,34)(H,30,32,37);3-10,12H,11H2,1-2H3,(H2,22,26)(H,23,29);1-8H,9-10,20H2,(H2,21,25)(H,22,28)/t17-;;/m0../s1.

What are the key properties of 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide?

2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide has a molecular weight of 1311.40 g/mol, XLogP of 7.99, 25 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]acetamide;(2S)-6-amino-N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylhexanamide;N-[4-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 158669251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).