1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole

C24H33Br2ClF2N2OSi — CID 157269934

IUPAC1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole
SMILESCC(C)(C)[Si](C)(C)Cl.CCc1cc(F)ccc1Br.OCc1cc(F)ccc1Br.c1c[nH]cn1
InChIInChI=1S/C8H8BrF.C7H6BrFO.C6H15ClSi.C3H4N2/c1-2-6-5-7(10)3-4-8(6)9;8-7-2-1-6(9)3-5(7)4-10;1-6(2,3)8(4,5)7;1-2-5-3-4-1/h3-5H,2H2,1H3;1-3,10H,4H2;1-5H3;1-3H,(H,4,5)
InChIKeyAYKNFTCLQQJHCJ-UHFFFAOYSA-N
MW626.88 g/mol
LogP8.87
Rot. Bonds2

About 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole

1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole (PubChem CID 157269934) has the molecular formula C24H33Br2ClF2N2OSi and a molecular weight of 626.88 g/mol. Its IUPAC name is 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole.

Molecular Properties

Compound Name1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole
PubChem CID157269934
Molecular FormulaC24H33Br2ClF2N2OSi
Molecular Weight626.88 g/mol
Exact Mass624.04
IUPAC Name1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole
SMILESCC(C)(C)[Si](C)(C)Cl.CCc1cc(F)ccc1Br.OCc1cc(F)ccc1Br.c1c[nH]cn1
InChIInChI=1S/C8H8BrF.C7H6BrFO.C6H15ClSi.C3H4N2/c1-2-6-5-7(10)3-4-8(6)9;8-7-2-1-6(9)3-5(7)4-10;1-6(2,3)8(4,5)7;1-2-5-3-4-1/h3-5H,2H2,1H3;1-3,10H,4H2;1-5H3;1-3H,(H,4,5)
InChIKeyAYKNFTCLQQJHCJ-UHFFFAOYSA-N
XLogP8.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.88
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole?
The IUPAC name of 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole (CID 157269934) is 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole.
What is the SMILES notation for 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole?
The canonical SMILES for 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole is CC(C)(C)[Si](C)(C)Cl.CCc1cc(F)ccc1Br.OCc1cc(F)ccc1Br.c1c[nH]cn1.
What is the InChIKey of 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole?
The InChIKey is AYKNFTCLQQJHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF.C7H6BrFO.C6H15ClSi.C3H4N2/c1-2-6-5-7(10)3-4-8(6)9;8-7-2-1-6(9)3-5(7)4-10;1-6(2,3)8(4,5)7;1-2-5-3-4-1/h3-5H,2H2,1H3;1-3,10H,4H2;1-5H3;1-3H,(H,4,5).
What are the key properties of 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole?
1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole has a molecular weight of 626.88 g/mol, XLogP of 8.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethyl-4-fluorobenzene;(2-bromo-5-fluorophenyl)methanol;tert-butyl-chloro-dimethylsilane;1H-imidazole is sourced from PubChem (CID 157269934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).