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

C119H116N38O15 — CID 157054061

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

(2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide (PubChem CID 157054061) has the molecular formula C119H116N38O15 and a molecular weight of 2318.49 g/mol. Its IUPAC name is (2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: (2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide
• PubChem CID: 157054061
• Molecular Formula: C119H116N38O15
• Molecular Weight: 2318.49 g/mol
• Exact Mass: 2316.95
• IUPAC Name: (2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cc1.CC(C)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cn1.CCC(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cc1.CCC(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cn1.C[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cc1
• InChI: InChI=1S/C27H30N8O3.C24H23N7O3.C23H22N8O3.C23H21N7O3.C22H20N8O3/c1-18(7-4-5-14-28)27(37)31-20-12-10-19(11-13-20)23(36)17-35-22-9-3-2-8-21(22)32-26(35)24-25(34-38-33-24)30-16-6-15-29;1-15(2)24(33)27-17-10-8-16(9-11-17)20(32)14-31-19-7-4-3-6-18(19)28-23(31)21-22(30-34-29-21)26-13-5-12-25;1-14(2)23(33)28-19-9-8-15(12-26-19)18(32)13-31-17-7-4-3-6-16(17)27-22(31)20-21(30-34-29-20)25-11-5-10-24;1-2-20(32)26-16-10-8-15(9-11-16)19(31)14-30-18-7-4-3-6-17(18)27-23(30)21-22(29-33-28-21)25-13-5-12-24;1-2-19(32)27-18-9-8-14(12-25-18)17(31)13-30-16-7-4-3-6-15(16)26-22(30)20-21(29-33-28-20)24-11-5-10-23/h2-3,8-13,18H,4-7,14,16-17,28H2,1H3,(H,30,34)(H,31,37);3-4,6-11,15H,5,13-14H2,1-2H3,(H,26,30)(H,27,33);3-4,6-9,12,14H,5,11,13H2,1-2H3,(H,25,30)(H,26,28,33);3-4,6-11H,2,5,13-14H2,1H3,(H,25,29)(H,26,32);3-4,6-9,12H,2,5,11,13H2,1H3,(H,24,29)(H,25,27,32)/t18-;;;;/m0..../s1
• InChIKey: AANRVEFOVZWEGM-DEXDRMDJSA-N
• XLogP: 17.85
• TPSA: 745.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Rotatable Bonds: 49
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.49
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide (CID 157054061) is (2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide.

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

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

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

The InChIKey is AANRVEFOVZWEGM-DEXDRMDJSA-N. The full InChI is InChI=1S/C27H30N8O3.C24H23N7O3.C23H22N8O3.C23H21N7O3.C22H20N8O3/c1-18(7-4-5-14-28)27(37)31-20-12-10-19(11-13-20)23(36)17-35-22-9-3-2-8-21(22)32-26(35)24-25(34-38-33-24)30-16-6-15-29;1-15(2)24(33)27-17-10-8-16(9-11-17)20(32)14-31-19-7-4-3-6-18(19)28-23(31)21-22(30-34-29-21)26-13-5-12-25;1-14(2)23(33)28-19-9-8-15(12-26-19)18(32)13-31-17-7-4-3-6-16(17)27-22(31)20-21(30-34-29-20)25-11-5-10-24;1-2-20(32)26-16-10-8-15(9-11-16)19(31)14-30-18-7-4-3-6-17(18)27-23(30)21-22(29-33-28-21)25-13-5-12-24;1-2-19(32)27-18-9-8-14(12-25-18)17(31)13-30-16-7-4-3-6-15(16)26-22(30)20-21(29-33-28-20)24-11-5-10-23/h2-3,8-13,18H,4-7,14,16-17,28H2,1H3,(H,30,34)(H,31,37);3-4,6-11,15H,5,13-14H2,1-2H3,(H,26,30)(H,27,33);3-4,6-9,12,14H,5,11,13H2,1-2H3,(H,25,30)(H,26,28,33);3-4,6-11H,2,5,13-14H2,1H3,(H,25,29)(H,26,32);3-4,6-9,12H,2,5,11,13H2,1H3,(H,24,29)(H,25,27,32)/t18-;;;;/m0..../s1.

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

(2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide has a molecular weight of 2318.49 g/mol, XLogP of 17.85, 49 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylhexanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]-2-methylpropanamide;N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]-2-methylpropanamide;N-[5-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 157054061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).