acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene

C205H260FN37O5S — CID 161240204

About acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene

acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene (PubChem CID 161240204) has the molecular formula C205H260FN37O5S and a molecular weight of 3373.65 g/mol. Its IUPAC name is acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene.

Molecular Properties

• Compound Name: acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
• PubChem CID: 161240204
• Molecular Formula: C205H260FN37O5S
• Molecular Weight: 3373.65 g/mol
• Exact Mass: 3371.09
• IUPAC Name: acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
• SMILES: C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC#N.COC(=O)c1ccc(C)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ncnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C
• InChI: InChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H9N3.C8H8N2.C8H9NO2.C8H7NO.C7H7N3.C7H9NO.3C7H9N.C7H8.4C6H7N.5C5H6N2.C2H3N.7C2H6.4CH4/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;1-6-3-7-8(9-4-6)11(2)5-10-7;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;1-6-2-3-7-8-5-9-10(7)4-6;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;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;1-2-3;7*1-2;;;;/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2-6H,1H3;3-5H,1-2H3;2*2-5H,1H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;1H3;7*1-2H3;4*1H4
• InChIKey: UZWZBLKFITWBJJ-UHFFFAOYSA-N
• XLogP: 50.67
• TPSA: 496.64 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 4
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3373.65
LogP ≤ 5	50.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene (CID 161240204) is acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene.

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

The canonical SMILES for acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC#N.COC(=O)c1ccc(C)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ncnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C.

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

The InChIKey is UZWZBLKFITWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H9N3.C8H8N2.C8H9NO2.C8H7NO.C7H7N3.C7H9NO.3C7H9N.C7H8.4C6H7N.5C5H6N2.C2H3N.7C2H6.4CH4/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;1-6-3-7-8(9-4-6)11(2)5-10-7;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;1-6-2-3-7-8-5-9-10(7)4-6;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;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;1-2-3;7*1-2;;;;/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2-6H,1H3;3-5H,1-2H3;2*2-5H,1H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;1H3;7*1-2H3;4*1H4.

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

acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene has a molecular weight of 3373.65 g/mol, XLogP of 50.67, 4 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene is sourced from PubChem (CID 161240204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).