1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene

C120H137N9O2S — CID 158197449

About 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene

1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene (PubChem CID 158197449) has the molecular formula C120H137N9O2S and a molecular weight of 1769.54 g/mol. Its IUPAC name is 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene.

Molecular Properties

• Compound Name: 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene
• PubChem CID: 158197449
• Molecular Formula: C120H137N9O2S
• Molecular Weight: 1769.54 g/mol
• Exact Mass: 1768.06
• IUPAC Name: 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene
• SMILES: Cc1cc(-c2ccc(C)n2C)cc(C)c1C.Cc1cc(-c2cnc(C)n2C)cc(C)c1C.Cc1ccc(-c2cc(C)c(C)c(C)c2)cn1.Cc1ccc(-c2cc(C)c(C)c(C)c2)s1.Cc1ccc2c(c1)N=C(c1cc(C)c(C)c(C)c1)C2.Cc1ccc2oc(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1cnc(-c2cc(C)c(C)c(C)c2)o1.Cc1ncc(-c2cc(C)c(C)c(C)c2)cn1
• InChI: InChI=1S/C18H19N.C17H17NO.C15H19N.C15H17N.C14H18N2.C14H16N2.C14H16S.C13H15NO/c1-11-5-6-15-10-18(19-17(15)7-11)16-8-12(2)14(4)13(3)9-16;1-10-5-6-16-15(7-10)18-17(19-16)14-8-11(2)13(4)12(3)9-14;1-10-8-14(9-11(2)13(10)4)15-7-6-12(3)16(15)5;1-10-7-15(8-11(2)13(10)4)14-6-5-12(3)16-9-14;1-9-6-13(7-10(2)11(9)3)14-8-15-12(4)16(14)5;1-9-5-13(6-10(2)11(9)3)14-7-15-12(4)16-8-14;1-9-7-13(8-10(2)12(9)4)14-6-5-11(3)15-14;1-8-5-12(6-9(2)11(8)4)13-14-7-10(3)15-13/h5-9H,10H2,1-4H3;5-9H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-8H,1-4H3;5-7H,1-4H3
• InChIKey: GAMWJXUWSHXAKT-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 125.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.54
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene?

The IUPAC name of 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene (CID 158197449) is 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene.

What is the SMILES notation for 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene?

The canonical SMILES for 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene is Cc1cc(-c2ccc(C)n2C)cc(C)c1C.Cc1cc(-c2cnc(C)n2C)cc(C)c1C.Cc1ccc(-c2cc(C)c(C)c(C)c2)cn1.Cc1ccc(-c2cc(C)c(C)c(C)c2)s1.Cc1ccc2c(c1)N=C(c1cc(C)c(C)c(C)c1)C2.Cc1ccc2oc(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1cnc(-c2cc(C)c(C)c(C)c2)o1.Cc1ncc(-c2cc(C)c(C)c(C)c2)cn1.

What is the InChIKey of 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene?

The InChIKey is GAMWJXUWSHXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C17H17NO.C15H19N.C15H17N.C14H18N2.C14H16N2.C14H16S.C13H15NO/c1-11-5-6-15-10-18(19-17(15)7-11)16-8-12(2)14(4)13(3)9-16;1-10-5-6-16-15(7-10)18-17(19-16)14-8-11(2)13(4)12(3)9-14;1-10-8-14(9-11(2)13(10)4)15-7-6-12(3)16(15)5;1-10-7-15(8-11(2)13(10)4)14-6-5-12(3)16-9-14;1-9-6-13(7-10(2)11(9)3)14-8-15-12(4)16(14)5;1-9-5-13(6-10(2)11(9)3)14-7-15-12(4)16-8-14;1-9-7-13(8-10(2)12(9)4)14-6-5-11(3)15-14;1-8-5-12(6-9(2)11(8)4)13-14-7-10(3)15-13/h5-9H,10H2,1-4H3;5-9H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-8H,1-4H3;5-7H,1-4H3.

What are the key properties of 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene?

1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene has a molecular weight of 1769.54 g/mol, XLogP of 32.16, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-5-(3,4,5-trimethylphenyl)imidazole;1,2-dimethyl-5-(3,4,5-trimethylphenyl)pyrrole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzoxazole;6-methyl-2-(3,4,5-trimethylphenyl)-3H-indole;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-oxazole;2-methyl-5-(3,4,5-trimethylphenyl)pyridine;2-methyl-5-(3,4,5-trimethylphenyl)pyrimidine;2-methyl-5-(3,4,5-trimethylphenyl)thiophene is sourced from PubChem (CID 158197449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).