(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane

C153H235N22+ — CID 162264623

About (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane (PubChem CID 162264623) has the molecular formula C153H235N22+ and a molecular weight of 2382.72 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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane.

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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane
• PubChem CID: 162264623
• Molecular Formula: C153H235N22+
• Molecular Weight: 2382.72 g/mol
• Exact Mass: 2380.91
• IUPAC Name: (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.Cc1ccccc1N1c2nccnc2N(C)[C@@H]1C
• InChI: InChI=1S/C17H15N2.C16H18N2.4C15H17N3.C14H16N4.C12H16N2.17C2H6/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;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)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-11-6-4-5-7-13(11)18-12(2)17(3)15-10-16-9-8-14(15)18;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;17*1-2/h3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;4-9,11H,1-3H3;4-9,11H,1-3H3;17*1-2H3/q+1;;;;;;;;;;;;;;;;;;;;;;;;/t;13-;4*12-;2*11-;;;;;;;;;;;;;;;;;/m.0000000................./s1
• InChIKey: YQGDHNUZLHNUMC-ZTXMQJJLSA-N
• XLogP: 43.33
• TPSA: 130.99 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.72
LogP ≤ 5	43.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'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-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane?

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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane (CID 162264623) is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane.

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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane?

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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.Cc1ccccc1N1c2nccnc2N(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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane?

The InChIKey is YQGDHNUZLHNUMC-ZTXMQJJLSA-N. The full InChI is InChI=1S/C17H15N2.C16H18N2.4C15H17N3.C14H16N4.C12H16N2.17C2H6/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;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)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-11-6-4-5-7-13(11)18-12(2)17(3)15-10-16-9-8-14(15)18;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;17*1-2/h3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;4-9,11H,1-3H3;4-9,11H,1-3H3;17*1-2H3/q+1;;;;;;;;;;;;;;;;;;;;;;;;/t;13-;4*12-;2*11-;;;;;;;;;;;;;;;;;/m.0000000................./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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane?

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane has a molecular weight of 2382.72 g/mol, XLogP of 43.33, 7 rotatable bonds, 0 hydrogen bond donors, and 21 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]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane is sourced from PubChem (CID 162264623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).