2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole

C252H332F3N13O6S5 — CID 165098394

IUPAC2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole
SMILESCC(=O)n1c(C(C)C)cc2cc(C(C)C)ccc21.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)c1ccc2[nH]c(C(C)C)c(F)c2c1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2[nH]cc(C(C)C)c2c1.CC(C)c1ccc2c(c1)cc(C(C)C)n2C.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2nc(C(C)C)sc2c1.CC(C)c1ccc2oc(C(C)C)c(F)c2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)nc2c1.CC(C)c1ccc2occ(C(C)C)c2c1.CC(C)c1ccc2sc(C(C)C)c(F)c2c1.CC(C)c1ccc2sc(C(C)C)cc2c1.CC(C)c1ccc2sc(C(C)C)nc2c1.CC(C)c1ccc2scc(C(C)C)c2c1.CCn1c(C(C)C)cc2cc(C(C)C)ccc21
InChIInChI=1S/C16H21NO.C16H23N.C15H21N.C14H18FN.C14H17FO.C14H17FS.3C14H19N.2C14H18O.2C14H18S.C13H18N2.2C13H17NO.2C13H17NS/c1-10(2)13-6-7-15-14(8-13)9-16(11(3)4)17(15)12(5)18;1-6-17-15-8-7-13(11(2)3)9-14(15)10-16(17)12(4)5;1-10(2)12-6-7-14-13(8-12)9-15(11(3)4)16(14)5;3*1-8(2)10-5-6-12-11(7-10)13(15)14(16-12)9(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h6-11H,1-5H3;7-12H,6H2,1-5H3;6-11H,1-5H3;5-9,16H,1-4H3;2*5-9H,1-4H3;5-10,15H,1-4H3;5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;5*5-10H,1-4H3;4*5-9H,1-4H3
InChIKeyXXDGDVNLZTUZAO-UHFFFAOYSA-N
MW3856.84 g/mol
LogP81.94
Rot. Bonds37

About 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole

2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole (PubChem CID 165098394) has the molecular formula C252H332F3N13O6S5 and a molecular weight of 3856.84 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole
PubChem CID165098394
Molecular FormulaC252H332F3N13O6S5
Molecular Weight3856.84 g/mol
Exact Mass3853.46
IUPAC Name2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole
SMILESCC(=O)n1c(C(C)C)cc2cc(C(C)C)ccc21.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)c1ccc2[nH]c(C(C)C)c(F)c2c1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2[nH]cc(C(C)C)c2c1.CC(C)c1ccc2c(c1)cc(C(C)C)n2C.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2nc(C(C)C)sc2c1.CC(C)c1ccc2oc(C(C)C)c(F)c2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)nc2c1.CC(C)c1ccc2occ(C(C)C)c2c1.CC(C)c1ccc2sc(C(C)C)c(F)c2c1.CC(C)c1ccc2sc(C(C)C)cc2c1.CC(C)c1ccc2sc(C(C)C)nc2c1.CC(C)c1ccc2scc(C(C)C)c2c1.CCn1c(C(C)C)cc2cc(C(C)C)ccc21
InChIInChI=1S/C16H21NO.C16H23N.C15H21N.C14H18FN.C14H17FO.C14H17FS.3C14H19N.2C14H18O.2C14H18S.C13H18N2.2C13H17NO.2C13H17NS/c1-10(2)13-6-7-15-14(8-13)9-16(11(3)4)17(15)12(5)18;1-6-17-15-8-7-13(11(2)3)9-14(15)10-16(17)12(4)5;1-10(2)12-6-7-14-13(8-12)9-15(11(3)4)16(14)5;3*1-8(2)10-5-6-12-11(7-10)13(15)14(16-12)9(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h6-11H,1-5H3;7-12H,6H2,1-5H3;6-11H,1-5H3;5-9,16H,1-4H3;2*5-9H,1-4H3;5-10,15H,1-4H3;5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;5*5-10H,1-4H3;4*5-9H,1-4H3
InChIKeyXXDGDVNLZTUZAO-UHFFFAOYSA-N
XLogP81.94
TPSA226.15 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003856.84
LogP ≤ 581.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
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-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4,6-dichloro-1H-indole;2-tert-butyl-5-fluoro-1-benzothiophene;2-tert-butyl-6-fluoro-1-benzothiophene;2-tert-butyl-7-fluoro-1-benzothiophene;2-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-indole);2-tert-butyl-6-methyl-1-benzothiophene;bis(2-tert-butyl-5-methyl-1H-indole);2-tert-butyl-7-methyl-1H-indole;2-tert-butyl-7-(trifluoromethyl)-1-benzothiophene;2-tert-butyl-3,5,7-trimethyl-1H-indole;carbon dioxide
CID 158475334
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
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
1-cyclopentyl-3-propan-2-ylbenzene;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;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[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 161044231
2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole
CID 141212886
2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole
CID 141377652
5-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-imidazo[1,2-a]pyridin-2-yl-6-(3H-indol-2-yl)-1,3-benzoxazole
CID 141412473
6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 157058602
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-4-propan-2-yltriazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-1-benzofuran;4,5,6,7-tetramethyl-2-propan-2-yl-1-benzothiophene;1,4,6,7-tetramethyl-5-propan-2-ylindole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;4,6,7-trimethyl-5-propan-2-yl-1-benzothiophene;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,4,5-trimethyl-2-propan-2-ylimidazole;1,4,6-trimethyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 157086512
Beryllium;dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-isoquinolin-1-ylbenzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;quinolin-1-ium-8-olate;ZINC
CID 157094102

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole?
The IUPAC name of 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole (CID 165098394) is 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole?
The canonical SMILES for 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole is CC(=O)n1c(C(C)C)cc2cc(C(C)C)ccc21.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)c1ccc2[nH]c(C(C)C)c(F)c2c1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2[nH]cc(C(C)C)c2c1.CC(C)c1ccc2c(c1)cc(C(C)C)n2C.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1ccc2nc(C(C)C)sc2c1.CC(C)c1ccc2oc(C(C)C)c(F)c2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)nc2c1.CC(C)c1ccc2occ(C(C)C)c2c1.CC(C)c1ccc2sc(C(C)C)c(F)c2c1.CC(C)c1ccc2sc(C(C)C)cc2c1.CC(C)c1ccc2sc(C(C)C)nc2c1.CC(C)c1ccc2scc(C(C)C)c2c1.CCn1c(C(C)C)cc2cc(C(C)C)ccc21.
What is the InChIKey of 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole?
The InChIKey is XXDGDVNLZTUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.C16H23N.C15H21N.C14H18FN.C14H17FO.C14H17FS.3C14H19N.2C14H18O.2C14H18S.C13H18N2.2C13H17NO.2C13H17NS/c1-10(2)13-6-7-15-14(8-13)9-16(11(3)4)17(15)12(5)18;1-6-17-15-8-7-13(11(2)3)9-14(15)10-16(17)12(4)5;1-10(2)12-6-7-14-13(8-12)9-15(11(3)4)16(14)5;3*1-8(2)10-5-6-12-11(7-10)13(15)14(16-12)9(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h6-11H,1-5H3;7-12H,6H2,1-5H3;6-11H,1-5H3;5-9,16H,1-4H3;2*5-9H,1-4H3;5-10,15H,1-4H3;5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;5*5-10H,1-4H3;4*5-9H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole?
2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole has a molecular weight of 3856.84 g/mol, XLogP of 81.94, 37 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1-benzofuran;3,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,6-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1-benzothiophene;3,5-di(propan-2-yl)-1-benzothiophene;2,5-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)-1H-indole;1-[2,5-di(propan-2-yl)indol-1-yl]ethanone;1-ethyl-2,5-di(propan-2-yl)indole;3-fluoro-2,5-di(propan-2-yl)-1-benzofuran;3-fluoro-2,5-di(propan-2-yl)-1-benzothiophene;3-fluoro-2,5-di(propan-2-yl)-1H-indole;1-methyl-2,5-di(propan-2-yl)indole is sourced from PubChem (CID 165098394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).