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

C186H245BrF4N12O6 — CID 162268097

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-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

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 (PubChem CID 162268097) has the molecular formula C186H245BrF4N12O6 and a molecular weight of 2900.98 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-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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162268097
• Molecular Formula: C186H245BrF4N12O6
• Molecular Weight: 2900.98 g/mol
• Exact Mass: 2897.84
• IUPAC Name: 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
• SMILES: C#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2cccnc2)n[nH]1.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(F)c(F)c(C(C)C)c1
• InChI: InChI=1S/2C15H16.C13H16.C12H18O.C12H16.C11H13N3.C11H14N2O.C11H13N.C11H16O.C10H12F2.C10H14O.C9H10F2.C9H12O.C8H14N2.2C8H13N.C7H10O.C6H9BrN2/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)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;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)7-4-3-5-8(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;5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);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;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)
• InChIKey: JFFQJMIJEZSOPE-UHFFFAOYSA-N
• XLogP: 54.19
• TPSA: 238.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2900.98
LogP ≤ 5	54.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

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-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?

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-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) 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-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.

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-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?

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-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 is C#CC(C)c1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2cccnc2)n[nH]1.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(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-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?

The InChIKey is JFFQJMIJEZSOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16.C13H16.C12H18O.C12H16.C11H13N3.C11H14N2O.C11H13N.C11H16O.C10H12F2.C10H14O.C9H10F2.C9H12O.C8H14N2.2C8H13N.C7H10O.C6H9BrN2/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)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;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)7-4-3-5-8(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;5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);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;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).

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-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?

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 has a molecular weight of 2900.98 g/mol, XLogP of 54.19, 29 rotatable bonds, 7 hydrogen bond donors, and 13 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-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 is sourced from PubChem (CID 162268097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).