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

C170H262BrN11O7 — CID 158549401

About 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

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 (PubChem CID 158549401) has the molecular formula C170H262BrN11O7 and a molecular weight of 2651.94 g/mol. Its IUPAC name is 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,4-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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158549401
• Molecular Formula: C170H262BrN11O7
• Molecular Weight: 2651.94 g/mol
• Exact Mass: 2648.97
• IUPAC Name: 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
• 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)c1c(C(C)O)cccc1C(C)O.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.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.C14H18.C13H20O2.C13H20.C11H16O.C10H17N.C10H11N.C9H11Br.4C9H16N2.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;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;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)9-5-6-11-10(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;1-7(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;5-10,14-15H,1-4H3;6-10H,1-5H3;4-9,12H,1-3H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);3-5,7H,6H2,1-2H3
• InChIKey: HPNJKCLPZDPHGT-UHFFFAOYSA-N
• XLogP: 48.95
• TPSA: 234.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2651.94
LogP ≤ 5	48.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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;1,4-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 1-bromo-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;1,4-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?

The canonical SMILES for 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 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)c1c(C(C)O)cccc1C(C)O.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1.CC(C)c1ccccc1Br.CC(C)c1ccccc1C(C)O.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-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?

The InChIKey is HPNJKCLPZDPHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H22O.C15H24O.C14H18.C13H20O2.C13H20.C11H16O.C10H17N.C10H11N.C9H11Br.4C9H16N2.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;1-8(2)13-11(9(3)14)6-5-7-12(13)10(4)15;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)9-5-6-11-10(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;1-7(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;5-10,14-15H,1-4H3;6-10H,1-5H3;4-9,12H,1-3H3;5-8,11H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3;3*5-8H,1-4H3;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;1,4-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?

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 has a molecular weight of 2651.94 g/mol, XLogP of 48.95, 38 rotatable bonds, 5 hydrogen bond donors, and 16 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;1,4-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 is sourced from PubChem (CID 158549401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).