methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C210H257N35OS2 — CID 157445870

IUPACmethane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC.C.C.CC(C)C1=CC2=NCCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cnccc2n1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.CC(C)c1cnc2ncccc2n1
InChIInChI=1S/2C12H13N.C12H16.2C11H12N2.C11H13N.C11H14S.C10H11N3.C10H12N2.C10H14N2.5C10H12N2.C10H11NO.C10H11NS.3C9H11N3.3CH4/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-5-12-6-4-11-10(12)7-9;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;;;/h2*3-9H,1-2H3;6-9H,3-5H2,1-2H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;5*3-7H,1-2H3;3*1H4
InChIKeyBSFFNXGKDIPAQW-UHFFFAOYSA-N
MW3351.74 g/mol
LogP50.10
Rot. Bonds20

About methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157445870) has the molecular formula C210H257N35OS2 and a molecular weight of 3351.74 g/mol. Its IUPAC name is methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Namemethane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID157445870
Molecular FormulaC210H257N35OS2
Molecular Weight3351.74 g/mol
Exact Mass3349.06
IUPAC Namemethane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC.C.C.CC(C)C1=CC2=NCCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cnccc2n1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.CC(C)c1cnc2ncccc2n1
InChIInChI=1S/2C12H13N.C12H16.2C11H12N2.C11H13N.C11H14S.C10H11N3.C10H12N2.C10H14N2.5C10H12N2.C10H11NO.C10H11NS.3C9H11N3.3CH4/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-5-12-6-4-11-10(12)7-9;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;;;/h2*3-9H,1-2H3;6-9H,3-5H2,1-2H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;5*3-7H,1-2H3;3*1H4
InChIKeyBSFFNXGKDIPAQW-UHFFFAOYSA-N
XLogP50.10
TPSA403.48 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003351.74
LogP ≤ 550.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine 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
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
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
CID 158633368
CID 158633368
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
CID 160156765
CID 160156765
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;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;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
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
CID 160796703
CID 160796703

Frequently Asked Questions

What is the IUPAC name of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 157445870) is methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is C.C.C.CC(C)C1=CC2=NCCN2C=C1.CC(C)c1ccc2c(c1)=CCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)=NCN=2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)SCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cnccc2n1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccn2nccc2c1.CC(C)c1ccn2nccc2n1.CC(C)c1cnc2ncccc2n1.
What is the InChIKey of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BSFFNXGKDIPAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C12H16.2C11H12N2.C11H13N.C11H14S.C10H11N3.C10H12N2.C10H14N2.5C10H12N2.C10H11NO.C10H11NS.3C9H11N3.3CH4/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-5-12-6-4-11-10(12)7-9;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-8(2)9-3-4-10-11-5-6-12(10)7-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-6-12-9(11-8)3-5-10-12;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-4-9-10-5-6-12(9)11-8;;;/h2*3-9H,1-2H3;6-9H,3-5H2,1-2H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-8H,1-2H3;5*3-7H,1-2H3;3*1H4.
What are the key properties of methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 3351.74 g/mol, XLogP of 50.10, 20 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157445870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).