2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole

C151H138N15S5+5 — CID 157494287

About 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole

2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole (PubChem CID 157494287) has the molecular formula C151H138N15S5+5 and a molecular weight of 2323.20 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole
• PubChem CID: 157494287
• Molecular Formula: C151H138N15S5+5
• Molecular Weight: 2323.20 g/mol
• Exact Mass: 2320.98
• IUPAC Name: 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1nc2c(-c3n(-c4ccccc4)c4ccccc4[n+]3C)c(C)ccc2s1.Cc1ccc2sc(-c3ccccc3)nc2c1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1ccc2sc(C3CCCCC3)nc2c1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1cccc(C)c1-c1nc2c(-c3n(-c4ccccc4)c4ccccc4[n+]3C)c(C)ccc2s1.Cc1nc2c(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)c(C)ccc2s1
• InChI: InChI=1S/C36H30N3S.C30H26N3S.C29H32N3S.C28H28N3S.C28H22N3S/c1-23-19-20-31-34(37-35(40-31)32-24(2)21-27(22-25(32)3)26-13-7-5-8-14-26)33(23)36-38(4)29-17-11-12-18-30(29)39(36)28-15-9-6-10-16-28;1-19-11-10-12-20(2)26(19)29-31-28-25(34-29)18-17-21(3)27(28)30-32(4)23-15-8-9-16-24(23)33(30)22-13-6-5-7-14-22;1-17(2)21-11-10-12-22(18(3)4)28(21)32-24-14-9-8-13-23(24)31(7)29(32)26-19(5)15-16-25-27(26)30-20(6)33-25;2*1-19-17-18-24-26(29-27(32-24)20-11-5-3-6-12-20)25(19)28-30(2)22-15-9-10-16-23(22)31(28)21-13-7-4-8-14-21/h5-22H,1-4H3;5-18H,1-4H3;8-18H,1-7H3;4,7-10,13-18,20H,3,5-6,11-12H2,1-2H3;3-18H,1-2H3/q5*+1
• InChIKey: XBWNFXRFCZPCBX-UHFFFAOYSA-N
• XLogP: 37.71
• TPSA: 108.50 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2323.20
LogP ≤ 5	37.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole?

The IUPAC name of 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole (CID 157494287) is 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole.

What is the SMILES notation for 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole?

The canonical SMILES for 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole is Cc1cc(-c2ccccc2)cc(C)c1-c1nc2c(-c3n(-c4ccccc4)c4ccccc4[n+]3C)c(C)ccc2s1.Cc1ccc2sc(-c3ccccc3)nc2c1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1ccc2sc(C3CCCCC3)nc2c1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1cccc(C)c1-c1nc2c(-c3n(-c4ccccc4)c4ccccc4[n+]3C)c(C)ccc2s1.Cc1nc2c(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)c(C)ccc2s1.

What is the InChIKey of 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole?

The InChIKey is XBWNFXRFCZPCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N3S.C30H26N3S.C29H32N3S.C28H28N3S.C28H22N3S/c1-23-19-20-31-34(37-35(40-31)32-24(2)21-27(22-25(32)3)26-13-7-5-8-14-26)33(23)36-38(4)29-17-11-12-18-30(29)39(36)28-15-9-6-10-16-28;1-19-11-10-12-20(2)26(19)29-31-28-25(34-29)18-17-21(3)27(28)30-32(4)23-15-8-9-16-24(23)33(30)22-13-6-5-7-14-22;1-17(2)21-11-10-12-22(18(3)4)28(21)32-24-14-9-8-13-23(24)31(7)29(32)26-19(5)15-16-25-27(26)30-20(6)33-25;2*1-19-17-18-24-26(29-27(32-24)20-11-5-3-6-12-20)25(19)28-30(2)22-15-9-10-16-23(22)31(28)21-13-7-4-8-14-21/h5-22H,1-4H3;5-18H,1-4H3;8-18H,1-7H3;4,7-10,13-18,20H,3,5-6,11-12H2,1-2H3;3-18H,1-2H3/q5*+1.

What are the key properties of 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole?

2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole has a molecular weight of 2323.20 g/mol, XLogP of 37.71, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;2-(2,6-dimethyl-4-phenylphenyl)-5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-1,3-benzothiazole;4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,5-dimethyl-1,3-benzothiazole;5-methyl-4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 157494287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).