[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

C115H122F2N20O12S6 — CID 158397349

About [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 158397349) has the molecular formula C115H122F2N20O12S6 and a molecular weight of 2206.77 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 158397349
• Molecular Formula: C115H122F2N20O12S6
• Molecular Weight: 2206.77 g/mol
• Exact Mass: 2204.78
• IUPAC Name: [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
• SMILES: C#Cc1ccc(NCCNC(=O)c2ccccc2SCc2cc(C)no2)cc1.Cc1cc(CSc2ccccc2C(=O)N2CCN(CC(=O)Nc3ccccc3C)CC2)no1.Cc1cc(CSc2ccccc2C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)no1.Cc1cc(CSc2ccccc2C(=O)NCCNc2nc(C(C)(F)F)cs2)on1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1
• InChI: InChI=1S/2C25H28N4O3S.C24H25N5O2S.C22H21N3O2S.C19H20F2N4O2S2/c1-18-7-3-5-9-22(18)26-24(30)16-28-11-13-29(14-12-28)25(31)21-8-4-6-10-23(21)33-17-20-15-19(2)32-27-20;1-18-7-9-20(10-8-18)26-24(30)16-28-11-13-29(14-12-28)25(31)22-5-3-4-6-23(22)33-17-21-15-19(2)32-27-21;1-17-14-18(27-31-17)16-32-22-9-5-2-6-19(22)24(30)29-12-10-28(11-13-29)15-23-25-20-7-3-4-8-21(20)26-23;1-3-17-8-10-18(11-9-17)23-12-13-24-22(26)20-6-4-5-7-21(20)28-15-19-14-16(2)25-27-19;1-12-9-13(27-25-12)10-28-15-6-4-3-5-14(15)17(26)22-7-8-23-18-24-16(11-29-18)19(2,20)21/h2*3-10,15H,11-14,16-17H2,1-2H3,(H,26,30);2-9,14H,10-13,15-16H2,1H3,(H,25,26);1,4-11,14,23H,12-13,15H2,2H3,(H,24,26);3-6,9,11H,7-8,10H2,1-2H3,(H,22,26)(H,23,24)
• InChIKey: GXRDCRPOBOMKPF-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 382.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.77
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 158397349) is [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is C#Cc1ccc(NCCNC(=O)c2ccccc2SCc2cc(C)no2)cc1.Cc1cc(CSc2ccccc2C(=O)N2CCN(CC(=O)Nc3ccccc3C)CC2)no1.Cc1cc(CSc2ccccc2C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)no1.Cc1cc(CSc2ccccc2C(=O)NCCNc2nc(C(C)(F)F)cs2)on1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.

What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is GXRDCRPOBOMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28N4O3S.C24H25N5O2S.C22H21N3O2S.C19H20F2N4O2S2/c1-18-7-3-5-9-22(18)26-24(30)16-28-11-13-29(14-12-28)25(31)21-8-4-6-10-23(21)33-17-20-15-19(2)32-27-20;1-18-7-9-20(10-8-18)26-24(30)16-28-11-13-29(14-12-28)25(31)22-5-3-4-6-23(22)33-17-21-15-19(2)32-27-21;1-17-14-18(27-31-17)16-32-22-9-5-2-6-19(22)24(30)29-12-10-28(11-13-29)15-23-25-20-7-3-4-8-21(20)26-23;1-3-17-8-10-18(11-9-17)23-12-13-24-22(26)20-6-4-5-7-21(20)28-15-19-14-16(2)25-27-19;1-12-9-13(27-25-12)10-28-15-6-4-3-5-14(15)17(26)22-7-8-23-18-24-16(11-29-18)19(2,20)21/h2*3-10,15H,11-14,16-17H2,1-2H3,(H,26,30);2-9,14H,10-13,15-16H2,1H3,(H,25,26);1,4-11,14,23H,12-13,15H2,2H3,(H,24,26);3-6,9,11H,7-8,10H2,1-2H3,(H,22,26)(H,23,24).

What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 2206.77 g/mol, XLogP of 20.85, 37 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone;N-[2-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-(4-ethynylanilino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 158397349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).