(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium

C261H288N23O+9 — CID 161086389

IUPAC(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc3c(oc4ccccc43)c2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cc(-c3ccccc3)ccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cnccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C
InChIInChI=1S/C33H35N2.C29H31N2O.C29H33N2.C27H31N2.C26H30N3.C23H29N2.3C17H16N.C16H18N2.C15H17N3.C12H16N2/c1-22(2)27-17-12-18-28(23(3)4)32(27)35-31-21-26(25-14-8-7-9-15-25)19-20-30(31)34(6)33(35)29-16-11-10-13-24(29)5;1-18(2)23-17-24-22-13-9-10-14-25(22)32-28(24)26(19(3)4)27(23)31-16-15-30(6)29(31)21-12-8-7-11-20(21)5;1-20(2)26-18-24(23-13-8-7-9-14-23)19-27(21(3)4)28(26)31-17-16-30(6)29(31)25-15-11-10-12-22(25)5;1-18(2)21-14-11-15-22(19(3)4)26(21)29-25-17-10-9-16-24(25)28(6)27(29)23-13-8-7-12-20(23)5;1-17(2)20-12-9-13-21(18(3)4)25(20)29-24-16-27-15-14-23(24)28(6)26(29)22-11-8-7-10-19(22)5;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h7-23H,1-6H3;7-19H,1-6H3;7-21H,1-6H3;7-19H,1-6H3;7-18H,1-6H3;7-17H,1-6H3;3*3-12H,1-2H3;4-11,13H,1-3H3;4-10,12H,1-3H3;4-9,11H,1-3H3/q9*+1;;;/t;;;;;;;;;13-;12-;11-/m.........000/s1
InChIKeyVMBUOQFLZYVIEH-WQEIHLDJSA-N
MW3763.33 g/mol
LogP61.97
Rot. Bonds32

About (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium (PubChem CID 161086389) has the molecular formula C261H288N23O+9 and a molecular weight of 3763.33 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
PubChem CID161086389
Molecular FormulaC261H288N23O+9
Molecular Weight3763.33 g/mol
Exact Mass3760.31
IUPAC Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc3c(oc4ccccc43)c2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cc(-c3ccccc3)ccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cnccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C
InChIInChI=1S/C33H35N2.C29H31N2O.C29H33N2.C27H31N2.C26H30N3.C23H29N2.3C17H16N.C16H18N2.C15H17N3.C12H16N2/c1-22(2)27-17-12-18-28(23(3)4)32(27)35-31-21-26(25-14-8-7-9-15-25)19-20-30(31)34(6)33(35)29-16-11-10-13-24(29)5;1-18(2)23-17-24-22-13-9-10-14-25(22)32-28(24)26(19(3)4)27(23)31-16-15-30(6)29(31)21-12-8-7-11-20(21)5;1-20(2)26-18-24(23-13-8-7-9-14-23)19-27(21(3)4)28(26)31-17-16-30(6)29(31)25-15-11-10-12-22(25)5;1-18(2)21-14-11-15-22(19(3)4)26(21)29-25-17-10-9-16-24(25)28(6)27(29)23-13-8-7-12-20(23)5;1-17(2)20-12-9-13-21(18(3)4)25(20)29-24-16-27-15-14-23(24)28(6)26(29)22-11-8-7-10-19(22)5;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h7-23H,1-6H3;7-19H,1-6H3;7-21H,1-6H3;7-19H,1-6H3;7-18H,1-6H3;7-17H,1-6H3;3*3-12H,1-2H3;4-11,13H,1-3H3;4-10,12H,1-3H3;4-9,11H,1-3H3/q9*+1;;;/t;;;;;;;;;13-;12-;11-/m.........000/s1
InChIKeyVMBUOQFLZYVIEH-WQEIHLDJSA-N
XLogP61.97
TPSA122.86 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms285
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003763.33
LogP ≤ 561.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?
The IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium (CID 161086389) is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?
The canonical SMILES for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium is Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc3c(oc4ccccc43)c2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cc(-c3ccccc3)ccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2cnccc2[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?
The InChIKey is VMBUOQFLZYVIEH-WQEIHLDJSA-N. The full InChI is InChI=1S/C33H35N2.C29H31N2O.C29H33N2.C27H31N2.C26H30N3.C23H29N2.3C17H16N.C16H18N2.C15H17N3.C12H16N2/c1-22(2)27-17-12-18-28(23(3)4)32(27)35-31-21-26(25-14-8-7-9-15-25)19-20-30(31)34(6)33(35)29-16-11-10-13-24(29)5;1-18(2)23-17-24-22-13-9-10-14-25(22)32-28(24)26(19(3)4)27(23)31-16-15-30(6)29(31)21-12-8-7-11-20(21)5;1-20(2)26-18-24(23-13-8-7-9-14-23)19-27(21(3)4)28(26)31-17-16-30(6)29(31)25-15-11-10-12-22(25)5;1-18(2)21-14-11-15-22(19(3)4)26(21)29-25-17-10-9-16-24(25)28(6)27(29)23-13-8-7-12-20(23)5;1-17(2)20-12-9-13-21(18(3)4)25(20)29-24-16-27-15-14-23(24)28(6)26(29)22-11-8-7-10-19(22)5;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2/h7-23H,1-6H3;7-19H,1-6H3;7-21H,1-6H3;7-19H,1-6H3;7-18H,1-6H3;7-17H,1-6H3;3*3-12H,1-2H3;4-11,13H,1-3H3;4-10,12H,1-3H3;4-9,11H,1-3H3/q9*+1;;;/t;;;;;;;;;13-;12-;11-/m.........000/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium has a molecular weight of 3763.33 g/mol, XLogP of 61.97, 32 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)imidazo[4,5-c]pyridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)-5-phenylbenzimidazol-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium is sourced from PubChem (CID 161086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).