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

C195H202Cl2F8N16O10 — CID 167644428

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

4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one (PubChem CID 167644428) has the molecular formula C195H202Cl2F8N16O10 and a molecular weight of 3152.75 g/mol. Its IUPAC name is 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one.

Molecular Properties

• Compound Name: 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one
• PubChem CID: 167644428
• Molecular Formula: C195H202Cl2F8N16O10
• Molecular Weight: 3152.75 g/mol
• Exact Mass: 3149.50
• IUPAC Name: 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one
• SMILES: COc1cccc(F)c1C.Cc1c(F)ccc2c1C(=O)CC=C2.Cc1c(N)c(Cl)cc(Cl)c1F.Cc1c(O)cccc1O.Cc1cc(O)cc2ccccc12.Cc1ccc2[nH]cnc2c1C.Cc1ccc2[nH]ncc2c1C.Cc1ccc2c(c1C)C(=O)CC=C2.Cc1ccc2c(c1C)CC(=O)N2C.Cc1ccc2c(c1C)CN=C2.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc2c1CC(=O)N2.Cc1cccc2c1CC(=O)N2.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2n[nH]nc12.Cc1ccccc1F.Cc1ccccc1O.Cc1ccnc2[nH]ncc12.Cc1nccc(F)c1C
• InChI: InChI=1S/C12H12O.C12H12.C11H9FO.C11H13NO.C11H10O.C11H10.C10H11N.2C9H10N2.2C9H9NO.C8H9FO.3C8H9F.C7H6Cl2FN.C7H8FN.C7H7F.2C7H7N3.C7H8O2.C7H8O/c1-8-6-7-10-4-3-5-11(13)12(10)9(8)2;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-7-9(12)6-5-8-3-2-4-10(13)11(7)8;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;2*1-6-3-2-4-8-7(6)5-9(11)10-8;1-6-7(9)4-3-5-8(6)10-2;3*1-6-4-3-5-8(9)7(6)2;1-3-6(10)4(8)2-5(9)7(3)11;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;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8/h3-4,6-7H,5H2,1-2H3;3-8H,1-2H3;2-3,5-6H,4H2,1H3;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);2*2-4H,5H2,1H3,(H,10,11);3-5H,1-2H3;3*3-5H,1-2H3;2H,11H2,1H3;3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3,(H,8,9,10);2-4,8-9H,1H3;2-5,8H,1H3
• InChIKey: PQJWZRRINXLSMW-UHFFFAOYSA-N
• XLogP: 48.60
• TPSA: 394.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3152.75
LogP ≤ 5	48.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one (CID 167644428) is 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one.

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

The canonical SMILES for 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one is COc1cccc(F)c1C.Cc1c(F)ccc2c1C(=O)CC=C2.Cc1c(N)c(Cl)cc(Cl)c1F.Cc1c(O)cccc1O.Cc1cc(O)cc2ccccc12.Cc1ccc2[nH]cnc2c1C.Cc1ccc2[nH]ncc2c1C.Cc1ccc2c(c1C)C(=O)CC=C2.Cc1ccc2c(c1C)CC(=O)N2C.Cc1ccc2c(c1C)CN=C2.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc(F)c1C.Cc1cccc2c1CC(=O)N2.Cc1cccc2c1CC(=O)N2.Cc1cccc2cccc(C)c12.Cc1cccc2ccccc12.Cc1cccc2n[nH]nc12.Cc1ccccc1F.Cc1ccccc1O.Cc1ccnc2[nH]ncc12.Cc1nccc(F)c1C.

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

The InChIKey is PQJWZRRINXLSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C12H12.C11H9FO.C11H13NO.C11H10O.C11H10.C10H11N.2C9H10N2.2C9H9NO.C8H9FO.3C8H9F.C7H6Cl2FN.C7H8FN.C7H7F.2C7H7N3.C7H8O2.C7H8O/c1-8-6-7-10-4-3-5-11(13)12(10)9(8)2;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-7-9(12)6-5-8-3-2-4-10(13)11(7)8;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;2*1-6-3-2-4-8-7(6)5-9(11)10-8;1-6-7(9)4-3-5-8(6)10-2;3*1-6-4-3-5-8(9)7(6)2;1-3-6(10)4(8)2-5(9)7(3)11;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;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8/h3-4,6-7H,5H2,1-2H3;3-8H,1-2H3;2-3,5-6H,4H2,1H3;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);2*2-4H,5H2,1H3,(H,10,11);3-5H,1-2H3;3*3-5H,1-2H3;2H,11H2,1H3;3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3,(H,8,9,10);2-4,8-9H,1H3;2-5,8H,1H3.

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

4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one has a molecular weight of 3152.75 g/mol, XLogP of 48.60, 1 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one is sourced from PubChem (CID 167644428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).