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

C222H373N21O12 — CID 158436610

IUPAC1,2-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c(=O)c(C(C)C)c1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc2[nH]c(=O)c(C(C)C)nc2c1.CC(C)c1ccc2c(C(C)C)coc2c1.CC(C)c1ccc2c(c1)OC(C(C)C)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1nc2ccccc2[nH]c1=O.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C14H18N2O.C14H18O.2C13H18N2.C13H18O2.2C12H18.C11H12N2O.3C11H17NO.2C10H16N2.C10H12O2.C9H15NO.C8H15N3.C8H14N2O.16C2H6/c1-8(2)10-5-6-11-12(7-10)15-13(9(3)4)14(17)16-11;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-7(2)9-5-10(8(3)4)11(13)12-6-9;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;16*1-2/h5-9H,1-4H3,(H,16,17);3*5-10H,1-4H3;5-9,13H,1-4H3;2*5-10H,1-4H3;3-7H,1-2H3,(H,13,14);3*5-8H,1-4H3,(H,12,13);2*5-8H,1-4H3;3-5,7H,6H2,1-2H3;2*5-7H,1-4H3;5-6H,1-4H3;16*1-2H3
InChIKeyHCHNWQLMTAAWRQ-UHFFFAOYSA-N
MW3528.56 g/mol
LogP68.30
Rot. Bonds32

About 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

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 (PubChem CID 158436610) has the molecular formula C222H373N21O12 and a molecular weight of 3528.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID158436610
Molecular FormulaC222H373N21O12
Molecular Weight3528.56 g/mol
Exact Mass3525.92
IUPAC Name1,2-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c(=O)c(C(C)C)c1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc2[nH]c(=O)c(C(C)C)nc2c1.CC(C)c1ccc2c(C(C)C)coc2c1.CC(C)c1ccc2c(c1)OC(C(C)C)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1nc2ccccc2[nH]c1=O.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C14H18N2O.C14H18O.2C13H18N2.C13H18O2.2C12H18.C11H12N2O.3C11H17NO.2C10H16N2.C10H12O2.C9H15NO.C8H15N3.C8H14N2O.16C2H6/c1-8(2)10-5-6-11-12(7-10)15-13(9(3)4)14(17)16-11;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-7(2)9-5-10(8(3)4)11(13)12-6-9;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;16*1-2/h5-9H,1-4H3,(H,16,17);3*5-10H,1-4H3;5-9,13H,1-4H3;2*5-10H,1-4H3;3-7H,1-2H3,(H,13,14);3*5-8H,1-4H3,(H,12,13);2*5-8H,1-4H3;3-5,7H,6H2,1-2H3;2*5-7H,1-4H3;5-6H,1-4H3;16*1-2H3
InChIKeyHCHNWQLMTAAWRQ-UHFFFAOYSA-N
XLogP68.30
TPSA423.00 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003528.56
LogP ≤ 568.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 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 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-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylic acid;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 160851026
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
4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 161460794
1,3-dimethyl-5-propan-2-yl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 162002068
1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone
CID 157276684
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
4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
CID 157328061
1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one
CID 157342185
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
5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;1,4-ditert-butylbenzene;1,5-ditert-butylbenzimidazole;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butylnaphthalene;2,5-ditert-butylpyridine;2,6-ditert-butylquinoline;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 157561372
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
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 157779902

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c(=O)c(C(C)C)c1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc2[nH]c(=O)c(C(C)C)nc2c1.CC(C)c1ccc2c(C(C)C)coc2c1.CC(C)c1ccc2c(c1)OC(C(C)C)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1nc2ccccc2[nH]c1=O.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 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?
The InChIKey is HCHNWQLMTAAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C14H18O.2C13H18N2.C13H18O2.2C12H18.C11H12N2O.3C11H17NO.2C10H16N2.C10H12O2.C9H15NO.C8H15N3.C8H14N2O.16C2H6/c1-8(2)10-5-6-11-12(7-10)15-13(9(3)4)14(17)16-11;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-7(2)9-5-10(8(3)4)11(13)12-6-9;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-8(6(3)4)11-10-7;16*1-2/h5-9H,1-4H3,(H,16,17);3*5-10H,1-4H3;5-9,13H,1-4H3;2*5-10H,1-4H3;3-7H,1-2H3,(H,13,14);3*5-8H,1-4H3,(H,12,13);2*5-8H,1-4H3;3-5,7H,6H2,1-2H3;2*5-7H,1-4H3;5-6H,1-4H3;16*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3528.56 g/mol, XLogP of 68.30, 32 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158436610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).