ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole

C99H165N7O4 — CID 158824925

IUPACethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1Cc2ccccc2C1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2o1
InChIInChI=1S/C12H16.C11H12O.3C10H12N2.C10H11NO.C10H12O2.13C2H6/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;13*1-2/h3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-5,7H,6H2,1-2H3;13*1-2H3
InChIKeyIWIJYBXFRQHJLV-UHFFFAOYSA-N
MW1517.45 g/mol
LogP33.27
Rot. Bonds7

About ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole

ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole (PubChem CID 158824925) has the molecular formula C99H165N7O4 and a molecular weight of 1517.45 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole
PubChem CID158824925
Molecular FormulaC99H165N7O4
Molecular Weight1517.45 g/mol
Exact Mass1516.29
IUPAC Nameethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1Cc2ccccc2C1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2o1
InChIInChI=1S/C12H16.C11H12O.3C10H12N2.C10H11NO.C10H12O2.13C2H6/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;13*1-2/h3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-5,7H,6H2,1-2H3;13*1-2H3
InChIKeyIWIJYBXFRQHJLV-UHFFFAOYSA-N
XLogP33.27
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001517.45
LogP ≤ 533.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole with MolForge

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Related Compounds

5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158144951
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene
CID 159092396
2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-indazole
CID 153583112
1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
CID 157101861
1,3-benzodioxole;1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;hexadecakis(2-methylpropane);1-phenylimidazole;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyrimidine;2-phenyltriazole;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157152490
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;8-tert-butylquinoline
CID 157202481
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
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;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 157990219
5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,5-ditert-butylbenzimidazole;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 158121152
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-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;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 158130904
bis(1,5-di(propan-2-yl)benzimidazole);2,6-di(propan-2-yl)-1H-benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;bis(2,5-di(propan-2-yl)-1-benzofuran);2,6-di(propan-2-yl)-1-benzofuran;2,6-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,6-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 158369417
2-methylidene-7-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-4-propan-2-yl-1,3-dihydrobenzimidazole;2-methylidene-4-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-2,3-dihydroinden-1-one;3-propan-2-yl-2H-indazole;bis(4-propan-2-yl-1H-indole);8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-3H-quinazolin-4-one
CID 158371514

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole?
The IUPAC name of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole (CID 158824925) is ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole.
What is the SMILES notation for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole?
The canonical SMILES for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1Cc2ccccc2C1.CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2o1.
What is the InChIKey of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole?
The InChIKey is IWIJYBXFRQHJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H12O.3C10H12N2.C10H11NO.C10H12O2.13C2H6/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;13*1-2/h3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-5,7H,6H2,1-2H3;13*1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole?
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole has a molecular weight of 1517.45 g/mol, XLogP of 33.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;5-propan-2-yl-1H-indazole is sourced from PubChem (CID 158824925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).