2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene

C211H262BrClF7N21NpO4PaPdS8 — CID 158535055

About 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene

2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 158535055) has the molecular formula C211H262BrClF7N21NpO4PaPdS8 and a molecular weight of 4235.89 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene
• PubChem CID: 158535055
• Molecular Formula: C211H262BrClF7N21NpO4PaPdS8
• Molecular Weight: 4235.89 g/mol
• Exact Mass: 4229.73
• IUPAC Name: 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene
• SMILES: C=Nc1cc(C)ccc1C.CC1CCC(C)CC1.CC1COC(C)OC1.CC1CSC(C)SC1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1nnc(C)s1.[Np].[Pa].[Pd]
• InChI: InChI=1S/C12H12.C10H10N2.C9H9F3.2C9H9NO.2C9H9NS.C9H11N.C9H12.C8H9Br.C8H9Cl.C8H8F2.2C8H9F.C8H16.C8H10.2C7H9N.4C6H8N2.C6H12O2.C6H12S2.C6H8S.2C5H7NS.C4H6N2S.Np.Pa.Pd/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;2*1-6-3-4-7(2)8(9)5-6;1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;;;/h3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;4*3-5H,1-2H3;4-6H,3H2,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;4*3-4H,1-2H3;2*5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;1-2H3
• InChIKey: HNVMUBWLHMTDTK-UHFFFAOYSA-N
• XLogP: 61.89
• TPSA: 314.90 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 1
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4235.89
LogP ≤ 5	61.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene (CID 158535055) is 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene is C=Nc1cc(C)ccc1C.CC1CCC(C)CC1.CC1COC(C)OC1.CC1CSC(C)SC1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1nnc(C)s1.[Np].[Pa].[Pd].

What is the InChIKey of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is HNVMUBWLHMTDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C10H10N2.C9H9F3.2C9H9NO.2C9H9NS.C9H11N.C9H12.C8H9Br.C8H9Cl.C8H8F2.2C8H9F.C8H16.C8H10.2C7H9N.4C6H8N2.C6H12O2.C6H12S2.C6H8S.2C5H7NS.C4H6N2S.Np.Pa.Pd/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;2*1-6-3-4-7(2)8(9)5-6;1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;;;/h3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;4*3-5H,1-2H3;4-6H,3H2,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;4*3-4H,1-2H3;2*5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;1-2H3;;;.

What are the key properties of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene?

2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene has a molecular weight of 4235.89 g/mol, XLogP of 61.89, 1 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethyl-1,3-dithiane;2,6-dimethylnaphthalene;N-(2,5-dimethylphenyl)methanimine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,6-dimethylquinoxaline;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyl-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-dimethylbenzene);neptunium;palladium;protactinium;1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 158535055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).