1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene

C202H245F4N35O5S — CID 158253580

IUPAC1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(C)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C
InChIInChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C7H6F3N.C7H9NO.2C7H9N.C7H8.4C6H7N.5C5H6N2.8C2H6/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-6-3-7-8(9-4-6)11(2)5-10-7;1-7-2-3-8-4-5-9-10(8)6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;8*1-2/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;8*1-2H3
InChIKeyGGZVYABYZRIPQS-UHFFFAOYSA-N
MW3351.48 g/mol
LogP49.94
Rot. Bonds4

About 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene

1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene (PubChem CID 158253580) has the molecular formula C202H245F4N35O5S and a molecular weight of 3351.48 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
PubChem CID158253580
Molecular FormulaC202H245F4N35O5S
Molecular Weight3351.48 g/mol
Exact Mass3348.96
IUPAC Name1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(C)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C
InChIInChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C7H6F3N.C7H9NO.2C7H9N.C7H8.4C6H7N.5C5H6N2.8C2H6/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-6-3-7-8(9-4-6)11(2)5-10-7;1-7-2-3-8-4-5-9-10(8)6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;8*1-2/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;8*1-2H3
InChIKeyGGZVYABYZRIPQS-UHFFFAOYSA-N
XLogP49.94
TPSA459.96 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds4
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003351.48
LogP ≤ 549.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
N-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;2-(dimethylamino)-N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1,3-oxazol-2-yl)phenoxy]ethyl]acetamide;6-ethynyl-N-[3-[(3-fluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;methyl 2-[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-1,3-thiazole-4-carboxylate
CID 157600434
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
CID 158004282
5-tert-butyl-N,N-dimethylpyrazin-2-amine;6-tert-butyl-N,N-dimethylpyridazin-3-amine;6-tert-butyl-N,N-dimethylpyrimidin-4-amine;4-tert-butyl-5-fluoropyrimidine;4-tert-butylfuro[2,3-d]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-(methoxymethyl)pyridine;4-tert-butyl-6-(methoxymethyl)pyrimidine;3-tert-butyl-6-methoxypyridazine;7-tert-butyl-1-methylindole;7-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidine;2-tert-butylpyrazine;4-(5-tert-butylpyrazin-2-yl)morpholine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butylpyridazine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;4-(4-tert-butylpyrimidin-2-yl)morpholine;3-tert-butyl-1,2,4-thiadiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;3-tert-butyl-6-(trifluoromethyl)pyridazine;2-tert-butyl-N,N,6-trimethylpyrimidine-4-carboxamide
CID 158390649
8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylpyrrol-2-yl)methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159455697
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-6-(1-cyclopropylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(4-pyrrolidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(3-methylbut-1-en-2-yl)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159590643
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 159709508
Acetonitrile;1,2-dimethylbenzimidazole;tris(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;methoxymethane;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);toluene;1,1,1-trifluoroethane
CID 159887553
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-6-(1-cyclopropylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(4-pyrrolidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(3-methylbut-1-en-2-yl)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160155875
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene?
The IUPAC name of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene (CID 158253580) is 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene.
What is the SMILES notation for 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene?
The canonical SMILES for 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene is CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(C)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccccc2n1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C.
What is the InChIKey of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene?
The InChIKey is GGZVYABYZRIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C10H8FNS.C10H9NO.C10H9N.C9H10N2.C9H9N.C8H9N3.2C8H8N2.C8H9NO2.C8H7NO.C7H6F3N.C7H9NO.2C7H9N.C7H8.4C6H7N.5C5H6N2.8C2H6/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-6-3-7-8(9-4-6)11(2)5-10-7;1-7-2-3-8-4-5-9-10(8)6-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-3-4-7(9-5-6)8(10)11-2;1-6-4-8-7(9-5-6)2-3-10-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;5*1-5-4-6-2-3-7-5;8*1-2/h2-10H,1H3;2-6H,1H3;4-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2*2-6H,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;8*1-2H3.
What are the key properties of 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene?
1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene has a molecular weight of 3351.48 g/mol, XLogP of 49.94, 4 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene is sourced from PubChem (CID 158253580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).