1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene

C119H146Cl5F6N18O2S3+ — CID 160190873

About 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene

1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene (PubChem CID 160190873) has the molecular formula C119H146Cl5F6N18O2S3+ and a molecular weight of 2248.00 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene.

Molecular Properties

• Compound Name: 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
• PubChem CID: 160190873
• Molecular Formula: C119H146Cl5F6N18O2S3+
• Molecular Weight: 2248.00 g/mol
• Exact Mass: 2246.94
• IUPAC Name: 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
• SMILES: CC1=C(C(=CC=C1)F)F.CC1=C(N=CC=C1)C.CC1=C(N=CC=C1)C.CC1=C(C=NC=C1)F.CC1=CC=CC=C1C.CC1=CC=CC=C1F.CC1=CC=CC=C1Cl.CC1=CN=CN=C1C.CC1=CN=C(N=C1C)C.CC1=C(ON=C1)C.CC1=C(ON=C1C)C.CC1=C(C=CC=C1F)F.CC1=C(C=CC=C1Cl)Cl.CC1=C(C=NC=C1Cl)Cl.CC1=C(N=CN1)C.CC1=C(SC=N1)C.CC1=C(SC(=N1)C)C.CC1=C(SN=N1)C.CC1=[N+](C=CN1C)C
• InChI: InChI=1S/C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.C7H7F.C7H10N2.2C7H9N.C6H5Cl2N.C6H6FN.C6H11N2.C6H8N2.C6H9NO.C6H9NS.C5H8N2.C5H7NO.C5H7NS.C4H6N2S/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-4-2-3-5-7(6)8;1-5-4-8-7(3)9-6(5)2;2*1-6-4-3-5-8-7(6)2;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-6-7(2)4-5-8(6)3;1-5-3-7-4-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-3-6-4;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;4H,1-3H3;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;4-5H,1-3H3;3-4H,1-2H3;2*1-3H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3/q;;;;;;;;;;;+1
• InChIKey: SBAIMBGIZFVWRS-UHFFFAOYSA-N
• XLogP: —
• TPSA: 329.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Heavy Atoms: 153
• Complexity: 1360

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2248.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

The IUPAC name of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene (CID 160190873) is 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene.

What is the SMILES notation for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

The canonical SMILES for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene is CC1=C(C(=CC=C1)F)F.CC1=C(N=CC=C1)C.CC1=C(N=CC=C1)C.CC1=C(C=NC=C1)F.CC1=CC=CC=C1C.CC1=CC=CC=C1F.CC1=CC=CC=C1Cl.CC1=CN=CN=C1C.CC1=CN=C(N=C1C)C.CC1=C(ON=C1)C.CC1=C(ON=C1C)C.CC1=C(C=CC=C1F)F.CC1=C(C=CC=C1Cl)Cl.CC1=C(C=NC=C1Cl)Cl.CC1=C(N=CN1)C.CC1=C(SC=N1)C.CC1=C(SC(=N1)C)C.CC1=C(SN=N1)C.CC1=[N+](C=CN1C)C.

What is the InChIKey of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

The InChIKey is SBAIMBGIZFVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.C7H7F.C7H10N2.2C7H9N.C6H5Cl2N.C6H6FN.C6H11N2.C6H8N2.C6H9NO.C6H9NS.C5H8N2.C5H7NO.C5H7NS.C4H6N2S/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-4-2-3-5-7(6)8;1-5-4-8-7(3)9-6(5)2;2*1-6-4-3-5-8-7(6)2;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-6-7(2)4-5-8(6)3;1-5-3-7-4-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-3-6-4;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;4H,1-3H3;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;4-5H,1-3H3;3-4H,1-2H3;2*1-3H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3/q;;;;;;;;;;;+1;;;;;;;.

What are the key properties of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene has a molecular weight of 2248.00 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2,3-trimethylimidazol-1-ium;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene is sourced from PubChem (CID 160190873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).