4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene

C124H182N14OS2 — CID 157281977

About 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene

4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene (PubChem CID 157281977) has the molecular formula C124H182N14OS2 and a molecular weight of 1949.05 g/mol. Its IUPAC name is 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene
• PubChem CID: 157281977
• Molecular Formula: C124H182N14OS2
• Molecular Weight: 1949.05 g/mol
• Exact Mass: 1947.41
• IUPAC Name: 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene
• SMILES: CC(C)n1ccn(C)c1=O.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.Cc1[nH]c2c(C)c(C)c(C)c(C)c2c1C(C)C.Cc1c(C)c(C)c2c(C(C)C)c(C)c(C)c(C)c2c1C.Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C)c(C(C)C)c(C)c1C.Cc1nc(C)c(C)c(C(C)C)c1C.Cc1ncn(C(C)C)c1C.Cc1sc(C)c(C(C)C)c1C.[C-]#[N+]c1ccc(C(C)C)s1
• InChI: InChI=1S/C20H28.C16H23N.3C12H19N.C10H12N2.C10H16S.C9H11N3.C8H14N2.C8H9NS.C7H12N2O/c1-10(2)18-14(6)13(5)16(8)19-15(7)11(3)12(4)17(9)20(18)19;1-8(2)14-13(7)17-16-12(6)10(4)9(3)11(5)15(14)16;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-7(2)12-9(4)8(3)10(5)13-11(12)6;1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)10-7(3)8(4)11-9(10)5;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-6(2)10-5-9-7(3)8(10)4;1-6(2)7-4-5-8(9-3)10-7;1-6(2)9-5-4-8(3)7(9)10/h10H,1-9H3;8,17H,1-7H3;3*7H,1-6H3;3-8H,1-2H3;6H,1-5H3;3-7H,1-2H3;5-6H,1-4H3;4-6H,1-2H3;4-6H,1-3H3
• InChIKey: AZTRFPVNNRCJJZ-UHFFFAOYSA-N
• XLogP: 35.97
• TPSA: 152.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.05
LogP ≤ 5	35.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene?

The IUPAC name of 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene (CID 157281977) is 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene.

What is the SMILES notation for 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene?

The canonical SMILES for 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene is CC(C)n1ccn(C)c1=O.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.Cc1[nH]c2c(C)c(C)c(C)c(C)c2c1C(C)C.Cc1c(C)c(C)c2c(C(C)C)c(C)c(C)c(C)c2c1C.Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C)c(C(C)C)c(C)c1C.Cc1nc(C)c(C)c(C(C)C)c1C.Cc1ncn(C(C)C)c1C.Cc1sc(C)c(C(C)C)c1C.[C-]#[N+]c1ccc(C(C)C)s1.

What is the InChIKey of 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene?

The InChIKey is AZTRFPVNNRCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28.C16H23N.3C12H19N.C10H12N2.C10H16S.C9H11N3.C8H14N2.C8H9NS.C7H12N2O/c1-10(2)18-14(6)13(5)16(8)19-15(7)11(3)12(4)17(9)20(18)19;1-8(2)14-13(7)17-16-12(6)10(4)9(3)11(5)15(14)16;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-7(2)12-9(4)8(3)10(5)13-11(12)6;1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)10-7(3)8(4)11-9(10)5;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-6(2)10-5-9-7(3)8(10)4;1-6(2)7-4-5-8(9-3)10-7;1-6(2)9-5-4-8(3)7(9)10/h10H,1-9H3;8,17H,1-7H3;3*7H,1-6H3;3-8H,1-2H3;6H,1-5H3;3-7H,1-2H3;5-6H,1-4H3;4-6H,1-2H3;4-6H,1-3H3.

What are the key properties of 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene?

4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene has a molecular weight of 1949.05 g/mol, XLogP of 35.97, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1-propan-2-ylimidazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;2-isocyano-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylimidazol-2-one;2,4,5,6,7-pentamethyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-c]pyridine;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;2,3,5-trimethyl-4-propan-2-ylthiophene is sourced from PubChem (CID 157281977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).