(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

C235H346N19+7 — CID 158608239

About (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (PubChem CID 158608239) has the molecular formula C235H346N19+7 and a molecular weight of 3437.49 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
• PubChem CID: 158608239
• Molecular Formula: C235H346N19+7
• Molecular Weight: 3437.49 g/mol
• Exact Mass: 3434.76
• IUPAC Name: (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
• SMILES: C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[n+]1cccc2c3ccccc3n(-c3ccccc3)c21.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3cccn3C)c12.Cc1ccccc1-c1c2c(cc[n+]1C)C=CC2.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
• InChI: InChI=1S/C19H17N2.C18H18N2.C18H16N2.C18H15N2.C17H15N2.2C17H16N.C16H18N2.C16H16N.C12H16N2.C11H13N2.27C2H6.2CH4/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-13-7-5-9-15-14-8-3-4-10-16(14)20(18(13)15)17-11-6-12-19(17)2;1-19-13-7-11-16-15-10-5-6-12-17(15)20(18(16)19)14-8-3-2-4-9-14;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;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)17-12-11-14-8-4-6-10-16(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;1-12-6-3-4-8-14(12)16-15-9-5-7-13(15)10-11-17(16)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;27*1-2;;/h3-13H,1-2H3;4-11,13H,1-3H3;3-12H,1-2H3;2-13H,1H3;3-11H,1-2H3;2*3-12H,1-2H3;4-11,13H,1-3H3;3-8,10-11H,9H2,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3;27*1-2H3;2*1H4/q+1;;;4*+1;;+1;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;13-;;;;;;13-;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0.....0.0............................../s1
• InChIKey: QJDRZXISNUQGSC-LYAPHADLSA-N
• XLogP: 66.82
• TPSA: 75.66 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3437.49
LogP ≤ 5	66.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?

The IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (CID 158608239) is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.

What is the SMILES notation for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?

The canonical SMILES for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[n+]1cccc2c3ccccc3n(-c3ccccc3)c21.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3cccn3C)c12.Cc1ccccc1-c1c2c(cc[n+]1C)C=CC2.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(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-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?

The InChIKey is QJDRZXISNUQGSC-LYAPHADLSA-N. The full InChI is InChI=1S/C19H17N2.C18H18N2.C18H16N2.C18H15N2.C17H15N2.2C17H16N.C16H18N2.C16H16N.C12H16N2.C11H13N2.27C2H6.2CH4/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-13-7-5-9-15-14-8-3-4-10-16(14)20(18(13)15)17-11-6-12-19(17)2;1-19-13-7-11-16-15-10-5-6-12-17(15)20(18(16)19)14-8-3-2-4-9-14;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;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)17-12-11-14-8-4-6-10-16(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;1-12-6-3-4-8-14(12)16-15-9-5-7-13(15)10-11-17(16)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;27*1-2;;/h3-13H,1-2H3;4-11,13H,1-3H3;3-12H,1-2H3;2-13H,1H3;3-11H,1-2H3;2*3-12H,1-2H3;4-11,13H,1-3H3;3-8,10-11H,9H2,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3;27*1-2H3;2*1H4/q+1;;;4*+1;;+1;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;13-;;;;;;13-;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0.....0.0............................../s1.

What are the key properties of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine has a molecular weight of 3437.49 g/mol, XLogP of 66.82, 9 rotatable bonds, 0 hydrogen bond donors, and 12 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-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)-7H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-9-(1-methylpyrrol-2-yl)carbazole;1-methyl-9-phenylpyrido[2,3-b]indol-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is sourced from PubChem (CID 158608239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).