1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene

C103H140F3N19O4S2 — CID 161155703

About 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene

1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene (PubChem CID 161155703) has the molecular formula C103H140F3N19O4S2 and a molecular weight of 1829.51 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene
• PubChem CID: 161155703
• Molecular Formula: C103H140F3N19O4S2
• Molecular Weight: 1829.51 g/mol
• Exact Mass: 1828.07
• IUPAC Name: 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene
• SMILES: C.C=S(C)(=O)c1ccc(C)c(F)c1.C=S(C)(=O)c1ccc(C)cc1.CCOc1ccc(C)cn1.CCc1nccn1C.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)nc1.Cc1ccc(CC#N)cc1.Cc1ccccc1.Cc1ccco1.Cc1ccn(C)n1.Cc1nccn1C.Cc1ncnn1C.Cc1nnnn1C.Cn1cccc1.Cn1cccn1
• InChI: InChI=1S/C9H11FOS.C9H9N.C9H12OS.2C8H9F.C8H11NO.C7H9N.C7H8.C6H10N2.2C5H8N2.C5H7N.C5H6O.C4H7N3.C4H6N2.C3H6N4.CH4/c1-7-4-5-8(6-9(7)10)12(2,3)11;1-8-2-4-9(5-3-8)6-7-10;1-8-4-6-9(7-5-8)11(2,3)10;2*1-6-3-4-7(2)8(9)5-6;1-3-10-8-5-4-7(2)6-9-8;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-3-6-7-4-5-8(6)2;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-4-5-3-6-7(4)2;1-6-4-2-3-5-6;1-3-4-5-6-7(3)2;/h4-6H,2H2,1,3H3;2-5H,6H2,1H3;4-7H,2H2,1,3H3;2*3-5H,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3;2-6H,1H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3;2-5H,1H3;2-4H,1H3;3H,1-2H3;2-4H,1H3;1-2H3;1H4
• InChIKey: UPGMRLMMTRGEQU-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 256.60 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.51
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene?

The IUPAC name of 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene (CID 161155703) is 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene.

What is the SMILES notation for 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene?

The canonical SMILES for 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene is C.C=S(C)(=O)c1ccc(C)c(F)c1.C=S(C)(=O)c1ccc(C)cc1.CCOc1ccc(C)cn1.CCc1nccn1C.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)nc1.Cc1ccc(CC#N)cc1.Cc1ccccc1.Cc1ccco1.Cc1ccn(C)n1.Cc1nccn1C.Cc1ncnn1C.Cc1nnnn1C.Cn1cccc1.Cn1cccn1.

What is the InChIKey of 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene?

The InChIKey is UPGMRLMMTRGEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FOS.C9H9N.C9H12OS.2C8H9F.C8H11NO.C7H9N.C7H8.C6H10N2.2C5H8N2.C5H7N.C5H6O.C4H7N3.C4H6N2.C3H6N4.CH4/c1-7-4-5-8(6-9(7)10)12(2,3)11;1-8-2-4-9(5-3-8)6-7-10;1-8-4-6-9(7-5-8)11(2,3)10;2*1-6-3-4-7(2)8(9)5-6;1-3-10-8-5-4-7(2)6-9-8;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-3-6-7-4-5-8(6)2;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-4-5-3-6-7(4)2;1-6-4-2-3-5-6;1-3-4-5-6-7(3)2;/h4-6H,2H2,1,3H3;2-5H,6H2,1H3;4-7H,2H2,1,3H3;2*3-5H,1-2H3;4-6H,3H2,1-2H3;3-5H,1-2H3;2-6H,1H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3;2-5H,1H3;2-4H,1H3;3H,1-2H3;2-4H,1H3;1-2H3;1H4.

What are the key properties of 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene?

1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene has a molecular weight of 1829.51 g/mol, XLogP of 21.72, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole;1,3-dimethylpyrazole;2,5-dimethylpyridine;1,5-dimethyltetrazole;1,5-dimethyl-1,2,4-triazole;2-ethoxy-5-methylpyridine;2-ethyl-1-methylimidazole;bis(2-fluoro-1,4-dimethylbenzene);(3-fluoro-4-methylphenyl)-methyl-methylidene-oxo-λ6-sulfane;methane;2-methylfuran;methyl-methylidene-(4-methylphenyl)-oxo-λ6-sulfane;2-(4-methylphenyl)acetonitrile;1-methylpyrazole;1-methylpyrrole;toluene is sourced from PubChem (CID 161155703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).