bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane

C121H117Br2F9I2N16O10S3 — CID 158523259

About bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane

bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane (PubChem CID 158523259) has the molecular formula C121H117Br2F9I2N16O10S3 and a molecular weight of 2636.17 g/mol. Its IUPAC name is bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane.

Molecular Properties

• Compound Name: bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane
• PubChem CID: 158523259
• Molecular Formula: C121H117Br2F9I2N16O10S3
• Molecular Weight: 2636.17 g/mol
• Exact Mass: 2632.46
• IUPAC Name: bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane
• SMILES: BrCc1ccccc1.C1CCOC1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(Cc4ccccc4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(Cc4ccccc4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1.Cc1cn(Cc2ccccc2)cn1.Ic1cn(Cc2ccccc2)cn1.Ic1cnc[nH]1
• InChI: InChI=1S/2C32H29F3N4O3S.C22H20BrF3N2O3S.C11H12N2.C10H9IN2.C7H7Br.C4H8O.C3H3IN2/c2*1-38(19-24-8-13-28(42-2)14-9-24)43(40,41)29-15-10-25(16-27-12-11-26(18-36-27)32(33,34)35)30(17-29)31-21-39(22-37-31)20-23-6-4-3-5-7-23;1-28(14-15-3-8-19(31-2)9-4-15)32(29,30)20-10-5-16(21(23)12-20)11-18-7-6-17(13-27-18)22(24,25)26;1-10-7-13(9-12-10)8-11-5-3-2-4-6-11;11-10-7-13(8-12-10)6-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;4-3-1-5-2-6-3/h2*3-15,17-18,21-22H,16,19-20H2,1-2H3;3-10,12-13H,11,14H2,1-2H3;2-7,9H,8H2,1H3;1-5,7-8H,6H2;1-5H,6H2;1-4H2;1-2H,(H,5,6)
• InChIKey: HMMDQMMBPKUQGP-UHFFFAOYSA-N
• XLogP: 27.32
• TPSA: 287.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.17
LogP ≤ 5	27.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane?

The IUPAC name of bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane (CID 158523259) is bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane.

What is the SMILES notation for bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane?

The canonical SMILES for bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane is BrCc1ccccc1.C1CCOC1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(Cc4ccccc4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(-c3cn(Cc4ccccc4)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(C(F)(F)F)cn3)c(Br)c2)cc1.Cc1cn(Cc2ccccc2)cn1.Ic1cn(Cc2ccccc2)cn1.Ic1cnc[nH]1.

What is the InChIKey of bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane?

The InChIKey is HMMDQMMBPKUQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H29F3N4O3S.C22H20BrF3N2O3S.C11H12N2.C10H9IN2.C7H7Br.C4H8O.C3H3IN2/c2*1-38(19-24-8-13-28(42-2)14-9-24)43(40,41)29-15-10-25(16-27-12-11-26(18-36-27)32(33,34)35)30(17-29)31-21-39(22-37-31)20-23-6-4-3-5-7-23;1-28(14-15-3-8-19(31-2)9-4-15)32(29,30)20-10-5-16(21(23)12-20)11-18-7-6-17(13-27-18)22(24,25)26;1-10-7-13(9-12-10)8-11-5-3-2-4-6-11;11-10-7-13(8-12-10)6-9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;4-3-1-5-2-6-3/h2*3-15,17-18,21-22H,16,19-20H2,1-2H3;3-10,12-13H,11,14H2,1-2H3;2-7,9H,8H2,1H3;1-5,7-8H,6H2;1-5H,6H2;1-4H2;1-2H,(H,5,6).

What are the key properties of bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane?

bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane has a molecular weight of 2636.17 g/mol, XLogP of 27.32, 32 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane is sourced from PubChem (CID 158523259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).