1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine

C168H259BrN14O5 — CID 159183687

About 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine

1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine (PubChem CID 159183687) has the molecular formula C168H259BrN14O5 and a molecular weight of 2634.92 g/mol. Its IUPAC name is 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

• Compound Name: 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine
• PubChem CID: 159183687
• Molecular Formula: C168H259BrN14O5
• Molecular Weight: 2634.92 g/mol
• Exact Mass: 2631.96
• IUPAC Name: 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine
• SMILES: CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)Cc1ccno1.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCCC1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCCOc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)C)c1
• InChI: InChI=1S/C16H27NO.C15H22O.C15H24O.C13H19N.C13H17N.C13H20.C11H16O.C10H17N.C10H11N.C9H11Br.4C9H16N2.C7H11NO/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-11-6-10(9)8(3)4;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)5-7-3-4-8-9-7/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;6-10H,1-5H3;4-9,12H,1-3H3;5,7-8H,6H2,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3-4,6H,5H2,1-2H3
• InChIKey: KNFFZTIVAZJKJS-UHFFFAOYSA-N
• XLogP: 48.21
• TPSA: 230.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2634.92
LogP ≤ 5	48.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine?

The IUPAC name of 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine (CID 159183687) is 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine.

What is the SMILES notation for 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine?

The canonical SMILES for 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine is CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)Cc1ccno1.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.CC(C)c1ccccc1N1CCCC1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCCOc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)C)c1.

What is the InChIKey of 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine?

The InChIKey is KNFFZTIVAZJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H22O.C15H24O.C13H19N.C13H17N.C13H20.C11H16O.C10H17N.C10H11N.C9H11Br.4C9H16N2.C7H11NO/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-8(2)10-6-4-5-7-11(10)9(3)12;1-7(2)9-5-11-6-10(9)8(3)4;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)5-7-3-4-8-9-7/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;6-10H,1-5H3;4-9,12H,1-3H3;5,7-8H,6H2,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3-4,6H,5H2,1-2H3.

What are the key properties of 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine?

1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine has a molecular weight of 2634.92 g/mol, XLogP of 48.21, 37 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-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;3,4-di(propan-2-yl)-2H-pyrrole;4-methyl-1,2-di(propan-2-yl)benzene;5-(2-methylpropyl)-1,2-oxazole;3-propan-2-ylbenzonitrile;1-(2-propan-2-ylphenyl)ethanol;1-(2-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 159183687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).