1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole

C74H83N19OS24 — CID 160870138

About 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole

1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole (PubChem CID 160870138) has the molecular formula C74H83N19OS24 and a molecular weight of 2024.22 g/mol. Its IUPAC name is 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole.

Molecular Properties

• Compound Name: 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole
• PubChem CID: 160870138
• Molecular Formula: C74H83N19OS24
• Molecular Weight: 2024.22 g/mol
• Exact Mass: 2021.03
• IUPAC Name: 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole
• SMILES: C1=NC(CSSSSCc2cnc[nH]2)=CC1.C1=NC(CSSSSCc2cocn2)=CC1.C1N=NC(CSSSSCc2nn[nH]n2)=N1.CCc1ccc(CSSSSCc2ccc(CC)nc2)nc1.c1ccc(CSSSSCc2cccnc2)cc1.c1ccc(Cn2cnc(CSSSSCc3cn(Cc4ccccc4)cn3)c2)cc1
• InChI: InChI=1S/C22H22N4S4.C16H20N2S4.C13H13NS4.C9H11N3S4.C9H10N2OS4.C5H7N7S4/c1-3-7-19(8-4-1)11-25-13-21(23-17-25)15-27-29-30-28-16-22-14-26(18-24-22)12-20-9-5-2-6-10-20;1-3-13-5-8-16(18-9-13)12-20-22-21-19-11-14-6-7-15(4-2)17-10-14;1-2-5-12(6-3-1)10-15-17-18-16-11-13-7-4-8-14-9-13;1-2-8(11-3-1)5-13-15-16-14-6-9-4-10-7-12-9;1-2-8(10-3-1)5-13-15-16-14-6-9-4-12-7-11-9;1(4-6-3-7-8-4)13-15-16-14-2-5-9-11-12-10-5/h1-10,13-14,17-18H,11-12,15-16H2;5-10H,3-4,11-12H2,1-2H3;1-9H,10-11H2;2-4,7H,1,5-6H2,(H,10,12);2-4,7H,1,5-6H2;1-3H2,(H,9,10,11,12)
• InChIKey: SLQLTJMXTZPETR-UHFFFAOYSA-N
• XLogP: 28.35
• TPSA: 245.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 48
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.22
LogP ≤ 5	28.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole?

The IUPAC name of 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole (CID 160870138) is 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole.

What is the SMILES notation for 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole?

The canonical SMILES for 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole is C1=NC(CSSSSCc2cnc[nH]2)=CC1.C1=NC(CSSSSCc2cocn2)=CC1.C1N=NC(CSSSSCc2nn[nH]n2)=N1.CCc1ccc(CSSSSCc2ccc(CC)nc2)nc1.c1ccc(CSSSSCc2cccnc2)cc1.c1ccc(Cn2cnc(CSSSSCc3cn(Cc4ccccc4)cn3)c2)cc1.

What is the InChIKey of 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole?

The InChIKey is SLQLTJMXTZPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4S4.C16H20N2S4.C13H13NS4.C9H11N3S4.C9H10N2OS4.C5H7N7S4/c1-3-7-19(8-4-1)11-25-13-21(23-17-25)15-27-29-30-28-16-22-14-26(18-24-22)12-20-9-5-2-6-10-20;1-3-13-5-8-16(18-9-13)12-20-22-21-19-11-14-6-7-15(4-2)17-10-14;1-2-5-12(6-3-1)10-15-17-18-16-11-13-7-4-8-14-9-13;1-2-8(11-3-1)5-13-15-16-14-6-9-4-10-7-12-9;1-2-8(10-3-1)5-13-15-16-14-6-9-4-12-7-11-9;1(4-6-3-7-8-4)13-15-16-14-2-5-9-11-12-10-5/h1-10,13-14,17-18H,11-12,15-16H2;5-10H,3-4,11-12H2,1-2H3;1-9H,10-11H2;2-4,7H,1,5-6H2,(H,10,12);2-4,7H,1,5-6H2;1-3H2,(H,9,10,11,12).

What are the key properties of 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole?

1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole has a molecular weight of 2024.22 g/mol, XLogP of 28.35, 48 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole is sourced from PubChem (CID 160870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).