4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole

C306H412N12O23 — CID 157300756

IUPAC4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole
SMILESCC(C)c1ccc(C(C)C)c2[nH]ccc12.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2[nH]ncc12.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1CC(=O)C2.CC(C)c1ccc(C(C)C)c2c1CC(=O)N2.CC(C)c1ccc(C(C)C)c2c1CC(=O)O2.CC(C)c1ccc(C(C)C)c2c1CC(=O)O2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CNC2=O.CC(C)c1ccc(C(C)C)c2c1CNC2=O.CC(C)c1ccc(C(C)C)c2c1COC2.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2n[nH]nc12.CC(C)c1ccc(C(C)C)c2oc(=O)c(=O)oc12.CC(C)c1ccc(C(C)C)c2occc12.CC(C)c1ccc(C(C)C)c2occc12
InChIInChI=1S/C15H20O.C15H22.C15H20.3C14H19NO.2C14H19N.C14H16O4.4C14H18O2.3C14H20O.2C14H18O.2C13H18N2.C13H18O2.C12H17N3/c1-9(2)12-5-6-13(10(3)4)15-8-11(16)7-14(12)15;2*1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-15-14(13)16;1-8(2)10-5-6-11(9(3)4)14-12(10)7-13(16)15-14;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-7(2)9-5-6-10(8(3)4)12-11(9)17-13(15)14(16)18-12;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-16-14(13)15;2*1-8(2)10-5-6-11(9(3)4)14-12(10)7-13(15)16-14;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;4*1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12/h5-6,9-10H,7-8H2,1-4H3;8-11H,5-7H2,1-4H3;5-6,8-11H,7H2,1-4H3;3*5-6,8-9H,7H2,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;5-8H,1-4H3;4*5-6,8-9H,7H2,1-4H3;3*5-6,9-10H,7-8H2,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-8H,1-4H3,(H,13,14,15)
InChIKeyBBWHMAALFOYYOB-UHFFFAOYSA-N
MW4626.72 g/mol
LogP83.12
Rot. Bonds44

About 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole

4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole (PubChem CID 157300756) has the molecular formula C306H412N12O23 and a molecular weight of 4626.72 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole
PubChem CID157300756
Molecular FormulaC306H412N12O23
Molecular Weight4626.72 g/mol
Exact Mass4623.14
IUPAC Name4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole
SMILESCC(C)c1ccc(C(C)C)c2[nH]ccc12.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2[nH]ncc12.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1CC(=O)C2.CC(C)c1ccc(C(C)C)c2c1CC(=O)N2.CC(C)c1ccc(C(C)C)c2c1CC(=O)O2.CC(C)c1ccc(C(C)C)c2c1CC(=O)O2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CNC2=O.CC(C)c1ccc(C(C)C)c2c1CNC2=O.CC(C)c1ccc(C(C)C)c2c1COC2.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2n[nH]nc12.CC(C)c1ccc(C(C)C)c2oc(=O)c(=O)oc12.CC(C)c1ccc(C(C)C)c2occc12.CC(C)c1ccc(C(C)C)c2occc12
InChIInChI=1S/C15H20O.C15H22.C15H20.3C14H19NO.2C14H19N.C14H16O4.4C14H18O2.3C14H20O.2C14H18O.2C13H18N2.C13H18O2.C12H17N3/c1-9(2)12-5-6-13(10(3)4)15-8-11(16)7-14(12)15;2*1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-15-14(13)16;1-8(2)10-5-6-11(9(3)4)14-12(10)7-13(16)15-14;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-7(2)9-5-6-10(8(3)4)12-11(9)17-13(15)14(16)18-12;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-16-14(13)15;2*1-8(2)10-5-6-11(9(3)4)14-12(10)7-13(15)16-14;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;4*1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12/h5-6,9-10H,7-8H2,1-4H3;8-11H,5-7H2,1-4H3;5-6,8-11H,7H2,1-4H3;3*5-6,8-9H,7H2,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;5-8H,1-4H3;4*5-6,8-9H,7H2,1-4H3;3*5-6,9-10H,7-8H2,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-8H,1-4H3,(H,13,14,15)
InChIKeyBBWHMAALFOYYOB-UHFFFAOYSA-N
XLogP83.12
TPSA469.50 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds44
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004626.72
LogP ≤ 583.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole with MolForge

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160869634
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide
CID 160958852
N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
CID 167555498
1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethyl-3H-indol-2-one;1,3,4-trimethylindazole
CID 157277289
5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157512708
10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole
CID 157580498
4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;5,8-di(propan-2-yl)-4H-chromen-3-one;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole
CID 157717485
1,7-dimethylbenzimidazole;3,4-dimethyl-1-benzofuran;3,4-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-2,3-dihydroindole;3,4-dimethyl-2H-indazole;1,7-dimethylindole;3,4-dimethyl-1H-indole;1,7-dimethylindole-2,3-dione;1,7-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 157929331
3-(2,2-dimethylpropyl)-1-benzofuran;1-(2,2-dimethylpropyl)-2-fluoro-4-methylbenzene;5-(2,2-dimethylpropyl)-1H-indazole;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-(sulfinatoamino)benzene;1-isocyano-4-(2-methylpropyl)benzene;2-methyl-1-(4-methylphenyl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)benzene);4-(2-methylpropyl)benzamide;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)furan;3-(2-methylpropyl)-1H-indole;bis(sulfur dioxide)
CID 158227266
1-methyl-6-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole
CID 158267191
1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;2,5-di(propan-2-yl)-1,3-benzodioxole;3,6-di(propan-2-yl)-1-benzofuran;1,5-di(propan-2-yl)indazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,5-di(propan-2-yl)-1H-pyridin-2-one;bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);3,6-di(propan-2-yl)-1H-quinoxalin-2-one;1,4-di(propan-2-yl)triazole;ethane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1H-quinoxalin-2-one
CID 158436610
5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
CID 158497030

Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole?
The IUPAC name of 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole (CID 157300756) is 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole.
What is the SMILES notation for 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole?
The canonical SMILES for 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole is CC(C)c1ccc(C(C)C)c2[nH]ccc12.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2[nH]ncc12.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1C=NC2.CC(C)c1ccc(C(C)C)c2c1CC(=O)C2.CC(C)c1ccc(C(C)C)c2c1CC(=O)N2.CC(C)c1ccc(C(C)C)c2c1CC(=O)O2.CC(C)c1ccc(C(C)C)c2c1CC(=O)O2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CNC2=O.CC(C)c1ccc(C(C)C)c2c1CNC2=O.CC(C)c1ccc(C(C)C)c2c1COC2.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1ccc(C(C)C)c2c1COC2=O.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2n[nH]nc12.CC(C)c1ccc(C(C)C)c2oc(=O)c(=O)oc12.CC(C)c1ccc(C(C)C)c2occc12.CC(C)c1ccc(C(C)C)c2occc12.
What is the InChIKey of 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole?
The InChIKey is BBWHMAALFOYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O.C15H22.C15H20.3C14H19NO.2C14H19N.C14H16O4.4C14H18O2.3C14H20O.2C14H18O.2C13H18N2.C13H18O2.C12H17N3/c1-9(2)12-5-6-13(10(3)4)15-8-11(16)7-14(12)15;2*1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-15-14(13)16;1-8(2)10-5-6-11(9(3)4)14-12(10)7-13(16)15-14;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-7(2)9-5-6-10(8(3)4)12-11(9)17-13(15)14(16)18-12;2*1-8(2)10-5-6-11(9(3)4)13-12(10)7-16-14(13)15;2*1-8(2)10-5-6-11(9(3)4)14-12(10)7-13(15)16-14;1-9(2)11-5-6-12(10(3)4)14-8-15-7-13(11)14;4*1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12/h5-6,9-10H,7-8H2,1-4H3;8-11H,5-7H2,1-4H3;5-6,8-11H,7H2,1-4H3;3*5-6,8-9H,7H2,1-4H3,(H,15,16);5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;5-8H,1-4H3;4*5-6,8-9H,7H2,1-4H3;3*5-6,9-10H,7-8H2,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-8H,1-4H3,(H,13,14,15).
What are the key properties of 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole?
4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole has a molecular weight of 4626.72 g/mol, XLogP of 83.12, 44 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)-1H-benzimidazole;5,8-di(propan-2-yl)-1,4-benzodioxine-2,3-dione;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(4,7-di(propan-2-yl)-1-benzofuran);bis(4,7-di(propan-2-yl)-3H-1-benzofuran-2-one);bis(4,7-di(propan-2-yl)-3H-2-benzofuran-1-one);4,7-di(propan-2-yl)-2H-benzotriazole;4,7-di(propan-2-yl)-1,3-dihydro-2-benzofuran;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-one;4,7-di(propan-2-yl)-1,3-dihydroindol-2-one;bis(4,7-di(propan-2-yl)-2,3-dihydroisoindol-1-one);4,7-di(propan-2-yl)-1H-indazole;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-1H-indole;4,7-di(propan-2-yl)-1H-isoindole is sourced from PubChem (CID 157300756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).