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

C117H141Cl5F6N18O2S3 — CID 159448155

IUPAC1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
SMILESCc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1cccc(F)c1F.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1F.Cc1cnc(C)nc1.Cc1cncnc1C.Cc1cnoc1C.Cc1nc(C)c(C)s1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncsc1C.Cc1nnsc1C.Cc1noc(C)c1C
InChIInChI=1S/C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.C7H7F.2C7H9N.C6H5Cl2N.C6H6FN.2C6H8N2.C6H9NO.C6H9NS.2C5H8N2.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;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;1-5-3-7-4-8-6(5)2;1-5-3-7-6(2)8-4-5;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-5-6-3-4-7(5)2;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;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;2*3-4H,1-2H3;2*1-3H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3
InChIKeyLTAGFEMUDNWJJZ-UHFFFAOYSA-N
MW2218.99 g/mol
LogP34.37
Rot. Bonds

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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene (PubChem CID 159448155) has the molecular formula C117H141Cl5F6N18O2S3 and a molecular weight of 2218.99 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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
PubChem CID159448155
Molecular FormulaC117H141Cl5F6N18O2S3
Molecular Weight2218.99 g/mol
Exact Mass2214.90
IUPAC Name1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
SMILESCc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1cccc(F)c1F.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1F.Cc1cnc(C)nc1.Cc1cncnc1C.Cc1cnoc1C.Cc1nc(C)c(C)s1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncsc1C.Cc1nnsc1C.Cc1noc(C)c1C
InChIInChI=1S/C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.C7H7F.2C7H9N.C6H5Cl2N.C6H6FN.2C6H8N2.C6H9NO.C6H9NS.2C5H8N2.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;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;1-5-3-7-4-8-6(5)2;1-5-3-7-6(2)8-4-5;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-5-6-3-4-7(5)2;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;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;2*3-4H,1-2H3;2*1-3H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3
InChIKeyLTAGFEMUDNWJJZ-UHFFFAOYSA-N
XLogP34.37
TPSA253.24 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.99
LogP ≤ 534.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene with MolForge

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Related Compounds

1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl) methanesulfinate;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;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;4-methylmorpholine;(3-methylphenyl) methanesulfinate;(4-methylphenyl) methanesulfinate;1-methylpiperazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;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 157615197
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperazine;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 158133933
2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide
CID 158233285
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl) methanesulfinate;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;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;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;4-methylmorpholine;(3-methylphenyl) methanesulfinate;(4-methylphenyl) methanesulfinate;1-methylpiperazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 158374388
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl) methanesulfinate;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;tris(2,3-dimethylpyridine);4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;(3-methylphenyl) methanesulfinate;(4-methylphenyl) methanesulfinate;1-methylpiperazine;1-methylpiperidine;3-methylpyridine;4-methylpyridine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 158532357
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;1-chloro-2-methyl-4-methylsulfonylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;1,2-dimethyl-4-methylsulfonylbenzene;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;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;1-methyl-3-methylsulfonylbenzene;1-methylpiperazine;1-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 159201237
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;1-chloro-2-methyl-4-methylsulfonylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;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;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;1-methyl-3-methylsulfonylbenzene;4-methylmorpholine;(4-methylphenyl)methanesulfinate;1-methylpiperazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 159422175
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 159860209
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
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;1-chloro-2-methyl-4-methylsulfonylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;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;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;1-methyl-3-methylsulfonylbenzene;1-methyl-4-methylsulfonylbenzene;4-methylmorpholine;1-methylpiperazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 160273573
1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;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;1-fluoro-4-methylbenzene;3-fluoro-4-methylpyridine;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 160401873
3,5-dichloro-4-methylpyridine;1,2-dimethylimidazole;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;3-fluoro-4-methylpyridine;4-methylmorpholine;1-methylpiperazine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole
CID 161463132

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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene (CID 159448155) 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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene is Cc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1cccc(F)c1F.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1F.Cc1cnc(C)nc1.Cc1cncnc1C.Cc1cnoc1C.Cc1nc(C)c(C)s1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncsc1C.Cc1nnsc1C.Cc1noc(C)c1C.
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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?
The InChIKey is LTAGFEMUDNWJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.C7H7F.2C7H9N.C6H5Cl2N.C6H6FN.2C6H8N2.C6H9NO.C6H9NS.2C5H8N2.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;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;1-5-3-7-4-8-6(5)2;1-5-3-7-6(2)8-4-5;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-5-6-3-4-7(5)2;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;2*3-5H,1-2H3;2-3H,1H3;2-4H,1H3;2*3-4H,1-2H3;2*1-3H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3.
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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene has a molecular weight of 2218.99 g/mol, XLogP of 34.37, 0 rotatable bonds, 1 hydrogen bond donors, and 22 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;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;bis(2,3-dimethylpyridine);2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;1,2-xylene is sourced from PubChem (CID 159448155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).