1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene

C213H226Cl2F8N16O11 — CID 167557872

About 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene

1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene (PubChem CID 167557872) has the molecular formula C213H226Cl2F8N16O11 and a molecular weight of 3409.14 g/mol. Its IUPAC name is 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene.

Molecular Properties

• Compound Name: 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene
• PubChem CID: 167557872
• Molecular Formula: C213H226Cl2F8N16O11
• Molecular Weight: 3409.14 g/mol
• Exact Mass: 3405.69
• IUPAC Name: 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene
• SMILES: COc1cccc(F)c1C.Cc1c(Cl)cc(Cl)c(F)c1C.Cc1c(O)ccc(F)c1C.Cc1cc(O)cc2ccccc12.Cc1ccc2[nH]cnc2c1C.Cc1ccc2[nH]ncc2c1C.Cc1ccc2c(c1C)C(=O)CC=C2.Cc1ccc2c(c1C)C(=O)CC=C2.Cc1ccc2c(c1C)CC(=O)N2C.Cc1ccc2c(c1C)CN=C2.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc2[nH]c(=O)[nH]c12.Cc1cccc2[nH]c(=O)oc12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2n[nH]nc12.Cc1ccccc1C.Cc1ccccc1F.Cc1ccnc2[nH]ncc12.Cc1nccc(F)c1C
• InChI: InChI=1S/2C12H12O.C12H12.C11H13NO.C11H10O.C11H10.C10H11N.2C9H10N2.C8H7Cl2F.2C8H9FO.3C8H9F.C8H8N2O.C8H7NO2.2C8H10O.C8H10.C7H8FN.C7H7F.2C7H7N3/c2*1-8-6-7-10-4-3-5-11(13)12(10)9(8)2;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-7-4-5-10-9(8(7)2)6-11(13)12(10)3;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-3-4-9-5-11-6-10(9)8(7)2;1-6-3-4-9-8(7(6)2)5-10-11-9;1-6-3-4-8-9(7(6)2)11-5-10-8;1-4-5(2)8(11)7(10)3-6(4)9;1-6-7(9)4-3-5-8(6)10-2;1-5-6(2)8(10)4-3-7(5)9;3*1-6-4-3-5-8(9)7(6)2;1-5-3-2-4-6-7(5)10-8(11)9-6;1-5-3-2-4-6-7(5)11-8(10)9-6;2*1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2;1-5-6(2)9-4-3-7(5)8;1-6-4-2-3-5-7(6)8;1-5-2-3-8-7-6(5)4-9-10-7;1-5-3-2-4-6-7(5)9-10-8-6/h2*3-4,6-7H,5H2,1-2H3;3-8H,1-2H3;4-5H,6H2,1-3H3;2-7,12H,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*3-5H,1-2H3,(H,10,11);3H,1-2H3;3-5H,1-2H3;3-4,10H,1-2H3;3*3-5H,1-2H3;2-4H,1H3,(H2,9,10,11);2-4H,1H3,(H,9,10);2*3-5,9H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3,(H,8,9,10)
• InChIKey: DGEMREZXWPDNFA-UHFFFAOYSA-N
• XLogP: 54.47
• TPSA: 405.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3409.14
LogP ≤ 5	54.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene?

The IUPAC name of 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene (CID 167557872) is 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene.

What is the SMILES notation for 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene?

The canonical SMILES for 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene is COc1cccc(F)c1C.Cc1c(Cl)cc(Cl)c(F)c1C.Cc1c(O)ccc(F)c1C.Cc1cc(O)cc2ccccc12.Cc1ccc2[nH]cnc2c1C.Cc1ccc2[nH]ncc2c1C.Cc1ccc2c(c1C)C(=O)CC=C2.Cc1ccc2c(c1C)C(=O)CC=C2.Cc1ccc2c(c1C)CC(=O)N2C.Cc1ccc2c(c1C)CN=C2.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(O)c1C.Cc1cccc(O)c1C.Cc1cccc2[nH]c(=O)[nH]c12.Cc1cccc2[nH]c(=O)oc12.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2n[nH]nc12.Cc1ccccc1C.Cc1ccccc1F.Cc1ccnc2[nH]ncc12.Cc1nccc(F)c1C.

What is the InChIKey of 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene?

The InChIKey is DGEMREZXWPDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O.C12H12.C11H13NO.C11H10O.C11H10.C10H11N.2C9H10N2.C8H7Cl2F.2C8H9FO.3C8H9F.C8H8N2O.C8H7NO2.2C8H10O.C8H10.C7H8FN.C7H7F.2C7H7N3/c2*1-8-6-7-10-4-3-5-11(13)12(10)9(8)2;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-7-4-5-10-9(8(7)2)6-11(13)12(10)3;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-3-4-9-5-11-6-10(9)8(7)2;1-6-3-4-9-8(7(6)2)5-10-11-9;1-6-3-4-8-9(7(6)2)11-5-10-8;1-4-5(2)8(11)7(10)3-6(4)9;1-6-7(9)4-3-5-8(6)10-2;1-5-6(2)8(10)4-3-7(5)9;3*1-6-4-3-5-8(9)7(6)2;1-5-3-2-4-6-7(5)10-8(11)9-6;1-5-3-2-4-6-7(5)11-8(10)9-6;2*1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2;1-5-6(2)9-4-3-7(5)8;1-6-4-2-3-5-7(6)8;1-5-2-3-8-7-6(5)4-9-10-7;1-5-3-2-4-6-7(5)9-10-8-6/h2*3-4,6-7H,5H2,1-2H3;3-8H,1-2H3;4-5H,6H2,1-3H3;2-7,12H,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*3-5H,1-2H3,(H,10,11);3H,1-2H3;3-5H,1-2H3;3-4,10H,1-2H3;3*3-5H,1-2H3;2-4H,1H3,(H2,9,10,11);2-4H,1H3,(H,9,10);2*3-5,9H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3,(H,8,9,10).

What are the key properties of 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene?

1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene has a molecular weight of 3409.14 g/mol, XLogP of 54.47, 1 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dichloro-2-fluoro-3,4-dimethylbenzene;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;bis(7,8-dimethyl-2H-naphthalen-1-one);bis(2,3-dimethylphenol);tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylphenol;4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;4-methyl-2H-benzotriazole;7-methyl-3H-1,3-benzoxazol-2-one;4-methyl-1,3-dihydrobenzimidazol-2-one;1-methylnaphthalene;4-methylnaphthalen-2-ol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one;1,2-xylene is sourced from PubChem (CID 167557872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).