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

C220H331BrN16O5 — CID 158670803

About 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

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 (PubChem CID 158670803) has the molecular formula C220H331BrN16O5 and a molecular weight of 3360.08 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158670803
• Molecular Formula: C220H331BrN16O5
• Molecular Weight: 3360.08 g/mol
• Exact Mass: 3356.53
• IUPAC Name: 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
• SMILES: C#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)Cc1ccco1.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)c1cccnc1N1CCCC1.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.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc2c(c1C(C)C)C=CC2
• InChI: InChI=1S/C16H27NO.C15H22O.C15H24O.C14H18.C13H19N.C13H17N.C13H16.2C13H20.C12H18N2.C11H16O.C10H11N.C9H11Br.5C9H16N2.C8H12O/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;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;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)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-6-4-5-7-11(10)9(3)12;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/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;1,7-10,12H,2-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;6-10H,1-5H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;4-9,12H,1-3H3;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
• InChIKey: IDXSCLOEKKHVBZ-UHFFFAOYSA-N
• XLogP: 63.07
• TPSA: 249.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 45
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3360.08
LogP ≤ 5	63.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C#CC(C)c1cc(C)ccc1C(C)C.CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)Cc1ccco1.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)c1cccnc1N1CCCC1.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.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1.Cc1ccc2c(c1C(C)C)C=CC2.

What is the InChIKey of 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?

The InChIKey is IDXSCLOEKKHVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H22O.C15H24O.C14H18.C13H19N.C13H17N.C13H16.2C13H20.C12H18N2.C11H16O.C10H11N.C9H11Br.5C9H16N2.C8H12O/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;1-6-12(5)14-9-11(4)7-8-13(14)10(2)3;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)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-7-6-11(5)8-13(12)10(3)4;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-6-4-5-7-11(10)9(3)12;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/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;7-8,10-12H,6,9H2,1-5H3;1,7-10,12H,2-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;6-10H,1-5H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;4-9,12H,1-3H3;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.

What are the key properties of 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?

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 has a molecular weight of 3360.08 g/mol, XLogP of 63.07, 45 rotatable bonds, 3 hydrogen bond donors, and 19 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;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 is sourced from PubChem (CID 158670803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).