1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene

C97H97F4N9 — CID 158860926

About 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene

1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene (PubChem CID 158860926) has the molecular formula C97H97F4N9 and a molecular weight of 1464.90 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene.

Molecular Properties

• Compound Name: 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene
• PubChem CID: 158860926
• Molecular Formula: C97H97F4N9
• Molecular Weight: 1464.90 g/mol
• Exact Mass: 1463.78
• IUPAC Name: 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene
• SMILES: CN(c1ccccc1)c1ccccc1.Cc1cc(C)cc(C)c1.Cc1cc(F)cc(F)c1.Cc1ccc(F)cc1F.Cc1ccccc1.Cc1ccccc1-c1ccccc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccccc1.Cc1nc2ccccn2c1C.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C14H12N2.C13H13N.C13H12.C9H10N2.C9H12.C8H8N2.2C7H6F2.C7H8.2C5H5N/c1-11-14(12-7-3-2-4-8-12)16-10-6-5-9-13(16)15-11;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-7-8(2)11-6-4-3-5-9(11)10-7;1-7-4-8(2)6-9(3)5-7;1-7-6-10-5-3-2-4-8(10)9-7;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(8)4-7(5)9;1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1/h2-10H,1H3;2-11H,1H3;2-10H,1H3;3-6H,1-2H3;4-6H,1-3H3;2-6H,1H3;2*2-4H,1H3;2-6H,1H3;2*1-5H
• InChIKey: JAQIDQBPUCQIRK-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 80.92 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1464.90
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene?

The IUPAC name of 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene (CID 158860926) is 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene.

What is the SMILES notation for 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene?

The canonical SMILES for 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene is CN(c1ccccc1)c1ccccc1.Cc1cc(C)cc(C)c1.Cc1cc(F)cc(F)c1.Cc1ccc(F)cc1F.Cc1ccccc1.Cc1ccccc1-c1ccccc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccccc1.Cc1nc2ccccn2c1C.c1ccncc1.c1ccncc1.

What is the InChIKey of 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene?

The InChIKey is JAQIDQBPUCQIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C13H13N.C13H12.C9H10N2.C9H12.C8H8N2.2C7H6F2.C7H8.2C5H5N/c1-11-14(12-7-3-2-4-8-12)16-10-6-5-9-13(16)15-11;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-7-8(2)11-6-4-3-5-9(11)10-7;1-7-4-8(2)6-9(3)5-7;1-7-6-10-5-3-2-4-8(10)9-7;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(8)4-7(5)9;1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1/h2-10H,1H3;2-11H,1H3;2-10H,1H3;3-6H,1-2H3;4-6H,1-3H3;2-6H,1H3;2*2-4H,1H3;2-6H,1H3;2*1-5H.

What are the key properties of 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene?

1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene has a molecular weight of 1464.90 g/mol, XLogP of 25.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine;N-methyl-N-phenylaniline;1-methyl-2-phenylbenzene;2-methyl-3-phenylimidazo[1,2-a]pyridine;bis(pyridine);toluene;1,3,5-trimethylbenzene is sourced from PubChem (CID 158860926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).