4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene

C209H290BrF8N15O6 — CID 162268760

IUPAC4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene
SMILESC.C.C.C.C#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2ccccc2)n[nH]1.CC(C)c1cc(C(C)(F)F)n(C)n1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC(C)c1ccco1.COc1c(C)cccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1c[nH]c(C(C)C)c1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)nn1CC(F)F.Cc1cc(F)c(F)c(C(C)C)c1
InChIInChI=1S/2C15H16.C13H16.C12H14N2.C12H18O.C12H16.C11H14N2O.C11H13N.C11H16O.C10H12F2.C10H14O.2C9H14F2N2.C9H10F2.C9H12O.C8H14N2.2C8H13N.C7H10O.C6H9BrN2.4CH4/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;1-6(2)8-4-7(3)5-9(11)10(8)12;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-5-8(9(3,10)11)13(4)12-7;1-6(2)8-4-7(3)13(12-8)5-9(10)11;1-6(2)7-4-3-5-8(10)9(7)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(3)10(4)9-8;2*1-6(2)8-4-7(3)5-9-8;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5;;;;/h2*3-12H,1-2H3;1,6-11H,2-4H3;3-9H,1-2H3,(H,13,14);5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;4-6H,1-3H3;3-6,8,11H,7H2,1-2H3;5-6H,1-4H3;4,6,9H,5H2,1-3H3;3-6H,1-2H3;3-7,10H,1-2H3;5-6H,1-4H3;2*4-6,9H,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9);4*1H4
InChIKeySCNPMIHLOYCLEB-UHFFFAOYSA-N
MW3340.61 g/mol
LogP62.58
Rot. Bonds34

About 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene

4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene (PubChem CID 162268760) has the molecular formula C209H290BrF8N15O6 and a molecular weight of 3340.61 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene
PubChem CID162268760
Molecular FormulaC209H290BrF8N15O6
Molecular Weight3340.61 g/mol
Exact Mass3337.19
IUPAC Name4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene
SMILESC.C.C.C.C#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2ccccc2)n[nH]1.CC(C)c1cc(C(C)(F)F)n(C)n1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC(C)c1ccco1.COc1c(C)cccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1c[nH]c(C(C)C)c1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)nn1CC(F)F.Cc1cc(F)c(F)c(C(C)C)c1
InChIInChI=1S/2C15H16.C13H16.C12H14N2.C12H18O.C12H16.C11H14N2O.C11H13N.C11H16O.C10H12F2.C10H14O.2C9H14F2N2.C9H10F2.C9H12O.C8H14N2.2C8H13N.C7H10O.C6H9BrN2.4CH4/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;1-6(2)8-4-7(3)5-9(11)10(8)12;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-5-8(9(3,10)11)13(4)12-7;1-6(2)8-4-7(3)13(12-8)5-9(10)11;1-6(2)7-4-3-5-8(10)9(7)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(3)10(4)9-8;2*1-6(2)8-4-7(3)5-9-8;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5;;;;/h2*3-12H,1-2H3;1,6-11H,2-4H3;3-9H,1-2H3,(H,13,14);5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;4-6H,1-3H3;3-6,8,11H,7H2,1-2H3;5-6H,1-4H3;4,6,9H,5H2,1-3H3;3-6H,1-2H3;3-7,10H,1-2H3;5-6H,1-4H3;2*4-6,9H,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9);4*1H4
InChIKeySCNPMIHLOYCLEB-UHFFFAOYSA-N
XLogP62.58
TPSA261.21 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003340.61
LogP ≤ 562.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene with MolForge

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Related Compounds

1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
CID 159305982
1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;4-fluoro-1,2-di(propan-2-yl)benzene;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;methane;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole
CID 161119492
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide;N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-hydroxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-hydroxy-N-(1H-imidazol-5-ylmethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-hydroxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 157654673
1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-isoindole;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 157805180
4-(2-amino-5-tert-butyl-1H-imidazol-4-yl)phenol;2-tert-butylcyclohexan-1-one;2-tert-butylfuran;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylindole;5-tert-butyl-4-(4-methylphenyl)-1H-imidazol-2-amine;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;4,4-dimethylpent-1-ene;ethane
CID 158508916
1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;4-methyl-1,2-di(propan-2-yl)benzene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol
CID 158549401
1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 158670803
1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,4-di(propan-2-yl)imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;1,2-di(propan-2-yl)-4-propoxybenzene;1,4-di(propan-2-yl)pyrazole;1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-methyl-4-propan-2-yl-1H-indene;2-(2-methylpropyl)furan;3-propan-2-ylbenzonitrile;4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 159730257
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-2H-indazole-5-carboxamide
CID 161553223
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-2H-indazole-5-carboxamide
CID 161738631
4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
CID 162268097
4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);4-fluoro-2-methoxy-1-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;propan-2-yloxybenzene;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
CID 162268098

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene?
The IUPAC name of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene (CID 162268760) is 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene.
What is the SMILES notation for 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene?
The canonical SMILES for 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene is C.C.C.C.C#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2ccccc2)n[nH]1.CC(C)c1cc(C(C)(F)F)n(C)n1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1cccc(F)c1F.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CC(C)c1ccco1.COc1c(C)cccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1c[nH]c(C(C)C)c1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)nn1CC(F)F.Cc1cc(F)c(F)c(C(C)C)c1.
What is the InChIKey of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene?
The InChIKey is SCNPMIHLOYCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16.C13H16.C12H14N2.C12H18O.C12H16.C11H14N2O.C11H13N.C11H16O.C10H12F2.C10H14O.2C9H14F2N2.C9H10F2.C9H12O.C8H14N2.2C8H13N.C7H10O.C6H9BrN2.4CH4/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;1-6(2)8-4-7(3)5-9(11)10(8)12;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-5-8(9(3,10)11)13(4)12-7;1-6(2)8-4-7(3)13(12-8)5-9(10)11;1-6(2)7-4-3-5-8(10)9(7)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(3)10(4)9-8;2*1-6(2)8-4-7(3)5-9-8;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5;;;;/h2*3-12H,1-2H3;1,6-11H,2-4H3;3-9H,1-2H3,(H,13,14);5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;4-6H,1-3H3;3-6,8,11H,7H2,1-2H3;5-6H,1-4H3;4,6,9H,5H2,1-3H3;3-6H,1-2H3;3-7,10H,1-2H3;5-6H,1-4H3;2*4-6,9H,1-3H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9);4*1H4.
What are the key properties of 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene?
4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene has a molecular weight of 3340.61 g/mol, XLogP of 62.58, 34 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-1H-imidazole;1-but-3-yn-2-yl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-difluoro-3-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methoxy-1-methyl-3-propan-2-ylbenzene;bis(4-methyl-2-propan-2-yl-1H-pyrrole);1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-phenyl-5-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;2-propan-2-ylphenol;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene is sourced from PubChem (CID 162268760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).