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

C189H287BrF5N17O6 — CID 161119492

About 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

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 (PubChem CID 161119492) has the molecular formula C189H287BrF5N17O6 and a molecular weight of 3068.38 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161119492
• Molecular Formula: C189H287BrF5N17O6
• Molecular Weight: 3068.38 g/mol
• Exact Mass: 3065.18
• IUPAC Name: 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
• SMILES: C.C.C.C#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)Cc1ccco1.CC(C)c1c(C(C)O)cccc1C(C)O.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C
• InChI: InChI=1S/C15H22O.C14H17NO.C14H18.C13H17F2N.C13H20O2.C12H16F2N2.C12H17F.C11H16O.C10H18N2.C10H11N.C9H11Br.5C9H16N2.C8H12O.3CH4/c1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-5-8-10(7(3)4)9(6-2)12-11-8;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)6-8-4-3-5-9-8;;;/h6-7,9-11H,8H2,1-5H3;4-11H,1-3H3;1,7-10,12H,2-5H3;3-6,10H,7-9H2,1-2H3;5-10,14-15H,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;5-9H,1-4H3;4-9,12H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);3-6,8H,1-2H3;3-7H,1-2H3;3*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11);3-5,7H,6H2,1-2H3;3*1H4
• InChIKey: UKTMGYIBBTYWQG-UHFFFAOYSA-N
• XLogP: 54.80
• TPSA: 299.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3068.38
LogP ≤ 5	54.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.C#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)Cc1ccco1.CC(C)c1c(C(C)O)cccc1C(C)O.CC(C)c1ccc(F)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.

What is the InChIKey of 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?

The InChIKey is UKTMGYIBBTYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C14H17NO.C14H18.C13H17F2N.C13H20O2.C12H16F2N2.C12H17F.C11H16O.C10H18N2.C10H11N.C9H11Br.5C9H16N2.C8H12O.3CH4/c1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-6-5-10(13)7-12(11)9(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-5-8-10(7(3)4)9(6-2)12-11-8;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-7(2)6-8-4-3-5-9-8;;;/h6-7,9-11H,8H2,1-5H3;4-11H,1-3H3;1,7-10,12H,2-5H3;3-6,10H,7-9H2,1-2H3;5-10,14-15H,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;5-9H,1-4H3;4-9,12H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);3-6,8H,1-2H3;3-7H,1-2H3;3*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11);3-5,7H,6H2,1-2H3;3*1H4.

What are the key properties of 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?

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 has a molecular weight of 3068.38 g/mol, XLogP of 54.80, 37 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161119492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).