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

C156H194F4N28O4S — CID 159887553

IUPACacetonitrile;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
SMILESCC.CC.CC.CC.CC#N.CC(F)(F)F.COC.COC(=O)c1ccc(C)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21
InChIInChI=1S/C14H12N2.C10H8FNS.C9H10N2.C9H9N.C8H8N2.C8H9NO2.C7H9NO.3C7H9N.C7H8.4C6H7N.5C5H6N2.C2H3F3.C2H3N.C2H6O.4C2H6/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;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-7-2-3-8-4-5-9-10(8)6-7;1-6-3-4-7(9-5-6)8(10)11-2;1-6-3-4-8(2)7(9)5-6;3*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;1-2(3,4)5;1-2-3;1-3-2;4*1-2/h2-10H,1H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;2-6H,1H3;3-5H,1-2H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;1H3;1H3;1-2H3;4*1-2H3
InChIKeyNUICGSJOVRZUOZ-UHFFFAOYSA-N
MW2633.52 g/mol
LogP37.21
Rot. Bonds3

About 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

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 (PubChem CID 159887553) has the molecular formula C156H194F4N28O4S and a molecular weight of 2633.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetonitrile;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
PubChem CID159887553
Molecular FormulaC156H194F4N28O4S
Molecular Weight2633.52 g/mol
Exact Mass2631.55
IUPAC Nameacetonitrile;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
SMILESCC.CC.CC.CC.CC#N.CC(F)(F)F.COC.COC(=O)c1ccc(C)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21
InChIInChI=1S/C14H12N2.C10H8FNS.C9H10N2.C9H9N.C8H8N2.C8H9NO2.C7H9NO.3C7H9N.C7H8.4C6H7N.5C5H6N2.C2H3F3.C2H3N.C2H6O.4C2H6/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;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-7-2-3-8-4-5-9-10(8)6-7;1-6-3-4-7(9-5-6)8(10)11-2;1-6-3-4-8(2)7(9)5-6;3*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;1-2(3,4)5;1-2-3;1-3-2;4*1-2/h2-10H,1H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;2-6H,1H3;3-5H,1-2H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;1H3;1H3;1-2H3;4*1-2H3
InChIKeyNUICGSJOVRZUOZ-UHFFFAOYSA-N
XLogP37.21
TPSA384.10 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds3
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.52
LogP ≤ 537.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

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
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
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158442581
2-[2-(3-Fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 159706096
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 160162045
1-[4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 160463296
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 161165312
Acetonitrile;1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;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;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;1,1,1-trifluoroethane
CID 161544054
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;1-fluoro-4-methylbenzene;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;1-methylbenzimidazole;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;4-methylpyridazine;2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;1-methylpyridin-2-one;2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)
CID 169426320
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 160996268
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;1-methylbenzimidazole;4-methylbenzonitrile;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);5-methylpyridine-2-carbonitrile;1-methylpyridin-2-one;2-methylquinoline;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)
CID 161475391

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC#N.CC(F)(F)F.COC.COC(=O)c1ccc(C)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc2ccnn2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1csc(-c2ccccc2F)n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2n1C.Cn1ccc2ccccc21.
What is the InChIKey of 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?
The InChIKey is NUICGSJOVRZUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C10H8FNS.C9H10N2.C9H9N.C8H8N2.C8H9NO2.C7H9NO.3C7H9N.C7H8.4C6H7N.5C5H6N2.C2H3F3.C2H3N.C2H6O.4C2H6/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;1-7-10-8-5-3-4-6-9(8)11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-7-2-3-8-4-5-9-10(8)6-7;1-6-3-4-7(9-5-6)8(10)11-2;1-6-3-4-8(2)7(9)5-6;3*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;1-2(3,4)5;1-2-3;1-3-2;4*1-2/h2-10H,1H3;2-6H,1H3;3-6H,1-2H3;2-7H,1H3;2-6H,1H3;3-5H,1-2H3;3-5H,1-2H3;3*3-5H,1-2H3;2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3;1H3;1H3;1-2H3;4*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2633.52 g/mol, XLogP of 37.21, 3 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159887553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).