1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol

C40H45Br2F2N9O4 — CID 165075315

About 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol

1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol (PubChem CID 165075315) has the molecular formula C40H45Br2F2N9O4 and a molecular weight of 913.66 g/mol. Its IUPAC name is 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol.

Molecular Properties

• Compound Name: 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
• PubChem CID: 165075315
• Molecular Formula: C40H45Br2F2N9O4
• Molecular Weight: 913.66 g/mol
• Exact Mass: 911.19
• IUPAC Name: 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
• SMILES: CCc1cn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)cn1.CCc1ncn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)c1Br.O=C1CCC(=O)N1Br
• InChI: InChI=1S/C18H20BrFN4O.C18H21FN4O.C4H4BrNO2/c1-4-16-18(19)24(10-21-16)9-12-8-23(3)22-17(12)14-6-5-13(20)7-15(14)11(2)25;1-4-15-10-23(11-20-15)9-13-8-22(3)21-18(13)16-6-5-14(19)7-17(16)12(2)24;5-6-3(7)1-2-4(6)8/h5-8,10-11,25H,4,9H2,1-3H3;5-8,10-12,24H,4,9H2,1-3H3;1-2H2
• InChIKey: UFDKOZMOYOVMGF-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 149.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.66
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?

The IUPAC name of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol (CID 165075315) is 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol.

What is the SMILES notation for 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?

The canonical SMILES for 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol is CCc1cn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)cn1.CCc1ncn(Cc2cn(C)nc2-c2ccc(F)cc2C(C)O)c1Br.O=C1CCC(=O)N1Br.

What is the InChIKey of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?

The InChIKey is UFDKOZMOYOVMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O.C18H21FN4O.C4H4BrNO2/c1-4-16-18(19)24(10-21-16)9-12-8-23(3)22-17(12)14-6-5-13(20)7-15(14)11(2)25;1-4-15-10-23(11-20-15)9-13-8-22(3)21-18(13)16-6-5-14(19)7-17(16)12(2)24;5-6-3(7)1-2-4(6)8/h5-8,10-11,25H,4,9H2,1-3H3;5-8,10-12,24H,4,9H2,1-3H3;1-2H2.

What are the key properties of 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol?

1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol has a molecular weight of 913.66 g/mol, XLogP of 7.38, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(5-bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 165075315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).