2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

C132H123ClF6N14O4S2 — CID 158950119

IUPAC2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESC.Cc1c(F)cc2ncccc2c1F.Cc1c(F)ccc(F)c1Cl.Cc1cc2cccnc2cc1F.Cc1ccc(F)cc1.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1
InChIInChI=1S/C10H7F2N.C10H8FN.C10H9N.C9H10N2.2C9H8N2.C9H9N.C9H10O2.C9H8O.C9H8S.C8H8N2.C8H7NO.C8H7NS.C7H5ClF2.C7H7F.CH4/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;3*1-6-2-3-7-8(4-6)10-5-9-7;1-4-5(9)2-3-6(10)7(4)8;1-6-2-4-7(8)5-3-6;/h2-5H,1H3;2-6H,1H3;2-7H,1H3;3-6H,1-2H3;2*2-6H,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;2-3H,1H3;2-5H,1H3;1H4
InChIKeyJLHWRHSZIPIVGN-UHFFFAOYSA-N
MW2183.10 g/mol
LogP36.31
Rot. Bonds

About 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (PubChem CID 158950119) has the molecular formula C132H123ClF6N14O4S2 and a molecular weight of 2183.10 g/mol. Its IUPAC name is 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.

Molecular Properties

Compound Name2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
PubChem CID158950119
Molecular FormulaC132H123ClF6N14O4S2
Molecular Weight2183.10 g/mol
Exact Mass2180.89
IUPAC Name2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESC.Cc1c(F)cc2ncccc2c1F.Cc1c(F)ccc(F)c1Cl.Cc1cc2cccnc2cc1F.Cc1ccc(F)cc1.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1
InChIInChI=1S/C10H7F2N.C10H8FN.C10H9N.C9H10N2.2C9H8N2.C9H9N.C9H10O2.C9H8O.C9H8S.C8H8N2.C8H7NO.C8H7NS.C7H5ClF2.C7H7F.CH4/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;3*1-6-2-3-7-8(4-6)10-5-9-7;1-4-5(9)2-3-6(10)7(4)8;1-6-2-4-7(8)5-3-6;/h2-5H,1H3;2-6H,1H3;2-7H,1H3;3-6H,1-2H3;2*2-6H,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;2-3H,1H3;2-5H,1H3;1H4
InChIKeyJLHWRHSZIPIVGN-UHFFFAOYSA-N
XLogP36.31
TPSA223.04 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.10
LogP ≤ 536.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline with MolForge

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Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
CID 158417103
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158620072
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;bis(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 160722416
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
CID 160983574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The IUPAC name of 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (CID 158950119) is 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.
What is the SMILES notation for 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The canonical SMILES for 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is C.Cc1c(F)cc2ncccc2c1F.Cc1c(F)ccc(F)c1Cl.Cc1cc2cccnc2cc1F.Cc1ccc(F)cc1.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.
What is the InChIKey of 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The InChIKey is JLHWRHSZIPIVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N.C10H8FN.C10H9N.C9H10N2.2C9H8N2.C9H9N.C9H10O2.C9H8O.C9H8S.C8H8N2.C8H7NO.C8H7NS.C7H5ClF2.C7H7F.CH4/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;3*1-6-2-3-7-8(4-6)10-5-9-7;1-4-5(9)2-3-6(10)7(4)8;1-6-2-4-7(8)5-3-6;/h2-5H,1H3;2-6H,1H3;2-7H,1H3;3-6H,1-2H3;2*2-6H,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;2-3H,1H3;2-5H,1H3;1H4.
What are the key properties of 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline has a molecular weight of 2183.10 g/mol, XLogP of 36.31, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;methane;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is sourced from PubChem (CID 158950119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).