1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)

C249H298F5N37O5S — CID 161475391

About 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)

1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene) (PubChem CID 161475391) has the molecular formula C249H298F5N37O5S and a molecular weight of 4016.43 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene).

Molecular Properties

• Compound Name: 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)
• PubChem CID: 161475391
• Molecular Formula: C249H298F5N37O5S
• Molecular Weight: 4016.43 g/mol
• Exact Mass: 4013.38
• IUPAC Name: 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(C)cn1.Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(C#N)cc1.Cc1ccc(C#N)nc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1ccccc1=O.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C
• InChI: InChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H6F4.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C8H7N.3C8H10.C7H6N2.2C7H9N.2C7H8.C6H7NO.4C6H7N.5C5H6N2.8C2H6.CH4/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-3-5(9)7(11)4(2)8(12)6(3)10;1-6-3-7-8(9-4-6)11(2)5-10-7;1-7-2-3-8-4-5-9-10(8)6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-7-2-4-8(6-9)5-3-7;3*1-7-3-5-8(2)6-4-7;1-6-2-3-7(4-8)9-5-6;2*1-6-3-4-7(2)8-5-6;2*1-7-5-3-2-4-6-7;1-7-5-3-2-4-6(7)8;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;8*1-2;/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;1-2H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-5H,1H3;3*3-6H,1-2H3;2-3,5H,1H3;2*3-5H,1-2H3;2*2-6H,1H3;2-5H,1H3;4*2-5H,1H3;5*2-4H,1H3;8*1-2H3;1H4
• InChIKey: WDQHTOTVXMXJGV-UHFFFAOYSA-N
• XLogP: 62.75
• TPSA: 507.54 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 4
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4016.43
LogP ≤ 5	62.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)?

The IUPAC name of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene) (CID 161475391) is 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene).

What is the SMILES notation for 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)?

The canonical SMILES for 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene) is C.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(C)cn1.Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(C#N)cc1.Cc1ccc(C#N)nc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1ccccc1=O.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C.

What is the InChIKey of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)?

The InChIKey is WDQHTOTVXMXJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H6F4.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C8H7N.3C8H10.C7H6N2.2C7H9N.2C7H8.C6H7NO.4C6H7N.5C5H6N2.8C2H6.CH4/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-3-5(9)7(11)4(2)8(12)6(3)10;1-6-3-7-8(9-4-6)11(2)5-10-7;1-7-2-3-8-4-5-9-10(8)6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-7-2-4-8(6-9)5-3-7;3*1-7-3-5-8(2)6-4-7;1-6-2-3-7(4-8)9-5-6;2*1-6-3-4-7(2)8-5-6;2*1-7-5-3-2-4-6-7;1-7-5-3-2-4-6(7)8;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;8*1-2;/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;1-2H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-5H,1H3;3*3-6H,1-2H3;2-3,5H,1H3;2*3-5H,1-2H3;2*2-6H,1H3;2-5H,1H3;4*2-5H,1H3;5*2-4H,1H3;8*1-2H3;1H4.

What are the key properties of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)?

1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene) has a molecular weight of 4016.43 g/mol, XLogP of 62.75, 4 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene) is sourced from PubChem (CID 161475391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).