1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)

C265H430N18O5S2 — CID 159782114

IUPAC1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)
SMILESC1=Cc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1nc2ccccc2n1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1c(C(C)C)oc2ccccc12.Cc1oc2ccccc2c1C(C)C.c1ccc2occc2c1
InChIInChI=1S/4C12H15N.2C12H14O.C12H18.C11H14N2.2C11H17N.3C10H16N2.2C9H8.C8H6O.2C6H9NO.2C6H9NS.17C4H10/c2*1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;2*1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;4*1-5(2)6-7-3-4-8-6;17*1-4(2)3/h4*4-9H,1-3H3;2*4-8H,1-3H3;5-10H,1-4H3;4-8H,1-3H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*1-6H,7H2;1-6H;4*3-5H,1-2H3;17*4H,1-3H3
InChIKeyNHMJDGRGHWXHFQ-UHFFFAOYSA-N
MW4012.61 g/mol
LogP85.73
Rot. Bonds23

About 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)

1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 159782114) has the molecular formula C265H430N18O5S2 and a molecular weight of 4012.61 g/mol. Its IUPAC name is 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

Compound Name1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)
PubChem CID159782114
Molecular FormulaC265H430N18O5S2
Molecular Weight4012.61 g/mol
Exact Mass4009.34
IUPAC Name1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)
SMILESC1=Cc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1nc2ccccc2n1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1c(C(C)C)oc2ccccc12.Cc1oc2ccccc2c1C(C)C.c1ccc2occc2c1
InChIInChI=1S/4C12H15N.2C12H14O.C12H18.C11H14N2.2C11H17N.3C10H16N2.2C9H8.C8H6O.2C6H9NO.2C6H9NS.17C4H10/c2*1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;2*1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;4*1-5(2)6-7-3-4-8-6;17*1-4(2)3/h4*4-9H,1-3H3;2*4-8H,1-3H3;5-10H,1-4H3;4-8H,1-3H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*1-6H,7H2;1-6H;4*3-5H,1-2H3;17*4H,1-3H3
InChIKeyNHMJDGRGHWXHFQ-UHFFFAOYSA-N
XLogP85.73
TPSA257.92 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004012.61
LogP ≤ 585.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) 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
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
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
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
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
CID 158466648
CID 158466648
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-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(1,2-oxazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159084449
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 159124080

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?
The IUPAC name of 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) (CID 159782114) is 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole).
What is the SMILES notation for 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?
The canonical SMILES for 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) is C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1nc2ccccc2n1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1c(C(C)C)oc2ccccc12.Cc1oc2ccccc2c1C(C)C.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?
The InChIKey is NHMJDGRGHWXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.2C12H14O.C12H18.C11H14N2.2C11H17N.3C10H16N2.2C9H8.C8H6O.2C6H9NO.2C6H9NS.17C4H10/c2*1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;2*1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;4*1-5(2)6-7-3-4-8-6;17*1-4(2)3/h4*4-9H,1-3H3;2*4-8H,1-3H3;5-10H,1-4H3;4-8H,1-3H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*1-6H,7H2;1-6H;4*3-5H,1-2H3;17*4H,1-3H3.
What are the key properties of 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?
1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 4012.61 g/mol, XLogP of 85.73, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 159782114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).