4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane

C60H79Br4F2N7O8 — CID 159676043

About 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane

4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane (PubChem CID 159676043) has the molecular formula C60H79Br4F2N7O8 and a molecular weight of 1383.94 g/mol. Its IUPAC name is 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane.

Molecular Properties

• Compound Name: 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane
• PubChem CID: 159676043
• Molecular Formula: C60H79Br4F2N7O8
• Molecular Weight: 1383.94 g/mol
• Exact Mass: 1379.27
• IUPAC Name: 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane
• SMILES: C.C.C.C.CC(C)(O)CCc1cc(Br)ccc1N.CC(C)(O)CCc1cc(Br)ccc1[N+](=O)[O-].CC(C)(O)Cn1cnc2ccc(-c3ccc(F)cc3)cc21.CC(C)(O)Cn1cnc2ccc(Br)cc21.O=[N+]([O-])c1ccc(Br)cc1F
• InChI: InChI=1S/C17H17FN2O.C11H13BrN2O.C11H14BrNO3.C11H16BrNO.C6H3BrFNO2.4CH4/c1-17(2,21)10-20-11-19-15-8-5-13(9-16(15)20)12-3-6-14(18)7-4-12;1-11(2,15)6-14-7-13-9-4-3-8(12)5-10(9)14;1-11(2,14)6-5-8-7-9(12)3-4-10(8)13(15)16;1-11(2,14)6-5-8-7-9(12)3-4-10(8)13;7-4-1-2-6(9(10)11)5(8)3-4;;;;/h3-9,11,21H,10H2,1-2H3;3-5,7,15H,6H2,1-2H3;3-4,7,14H,5-6H2,1-2H3;3-4,7,14H,5-6,13H2,1-2H3;1-3H;4*1H4
• InChIKey: MUPMCDURWVLTCL-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 228.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.94
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane?

The IUPAC name of 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane (CID 159676043) is 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane.

What is the SMILES notation for 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane?

The canonical SMILES for 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane is C.C.C.C.CC(C)(O)CCc1cc(Br)ccc1N.CC(C)(O)CCc1cc(Br)ccc1[N+](=O)[O-].CC(C)(O)Cn1cnc2ccc(-c3ccc(F)cc3)cc21.CC(C)(O)Cn1cnc2ccc(Br)cc21.O=[N+]([O-])c1ccc(Br)cc1F.

What is the InChIKey of 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane?

The InChIKey is MUPMCDURWVLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O.C11H13BrN2O.C11H14BrNO3.C11H16BrNO.C6H3BrFNO2.4CH4/c1-17(2,21)10-20-11-19-15-8-5-13(9-16(15)20)12-3-6-14(18)7-4-12;1-11(2,15)6-14-7-13-9-4-3-8(12)5-10(9)14;1-11(2,14)6-5-8-7-9(12)3-4-10(8)13(15)16;1-11(2,14)6-5-8-7-9(12)3-4-10(8)13;7-4-1-2-6(9(10)11)5(8)3-4;;;;/h3-9,11,21H,10H2,1-2H3;3-5,7,15H,6H2,1-2H3;3-4,7,14H,5-6H2,1-2H3;3-4,7,14H,5-6,13H2,1-2H3;1-3H;4*1H4.

What are the key properties of 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane?

4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane has a molecular weight of 1383.94 g/mol, XLogP of 17.02, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-5-bromophenyl)-2-methylbutan-2-ol;1-(6-bromobenzimidazol-1-yl)-2-methylpropan-2-ol;4-bromo-2-fluoro-1-nitrobenzene;4-(5-bromo-2-nitrophenyl)-2-methylbutan-2-ol;1-[6-(4-fluorophenyl)benzimidazol-1-yl]-2-methylpropan-2-ol;methane is sourced from PubChem (CID 159676043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).