[5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol

C23H27BrClFN2O2Si — CID 140770138

IUPAC[5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(Br)nc([Si](C)(C)C(C)(C)C)n2-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H27BrClFN2O2Si/c1-23(2,3)31(5,6)22-27-21(24)19(28(22)16-10-8-15(26)9-11-16)20(29)14-7-12-17(25)18(13-14)30-4/h7-13,20,29H,1-6H3
InChIKeyBWPSCGDYILJYJQ-UHFFFAOYSA-N
MW525.92 g/mol
LogP6.23
Rot. Bonds5

About [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol

[5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol (PubChem CID 140770138) has the molecular formula C23H27BrClFN2O2Si and a molecular weight of 525.92 g/mol. Its IUPAC name is [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol
PubChem CID140770138
Molecular FormulaC23H27BrClFN2O2Si
Molecular Weight525.92 g/mol
Exact Mass524.07
IUPAC Name[5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(Br)nc([Si](C)(C)C(C)(C)C)n2-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H27BrClFN2O2Si/c1-23(2,3)31(5,6)22-27-21(24)19(28(22)16-10-8-15(26)9-11-16)20(29)14-7-12-17(25)18(13-14)30-4/h7-13,20,29H,1-6H3
InChIKeyBWPSCGDYILJYJQ-UHFFFAOYSA-N
XLogP6.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.92
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol?
The IUPAC name of [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol (CID 140770138) is [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol is COc1cc(C(O)c2c(Br)nc([Si](C)(C)C(C)(C)C)n2-c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol?
The InChIKey is BWPSCGDYILJYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrClFN2O2Si/c1-23(2,3)31(5,6)22-27-21(24)19(28(22)16-10-8-15(26)9-11-16)20(29)14-7-12-17(25)18(13-14)30-4/h7-13,20,29H,1-6H3.
What are the key properties of [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol?
[5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol has a molecular weight of 525.92 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[tert-butyl(dimethyl)silyl]-3-(4-fluorophenyl)imidazol-4-yl]-(4-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 140770138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).