2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol

C27H30F2N6O3Si — CID 164870603

IUPAC2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(CCO)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C27H30F2N6O3Si/c1-17-32-23-12-20(28)27(25(29)26(23)35(17)16-37-9-10-39(2,3)4)38-19-5-6-21-22(11-19)33-24(14-30-21)18-13-31-34(15-18)7-8-36/h5-6,11-15,36H,7-10,16H2,1-4H3
InChIKeyUGXUEVWBLBYNAO-UHFFFAOYSA-N
MW552.66 g/mol
LogP5.53
Rot. Bonds10

About 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol

2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 164870603) has the molecular formula C27H30F2N6O3Si and a molecular weight of 552.66 g/mol. Its IUPAC name is 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol
PubChem CID164870603
Molecular FormulaC27H30F2N6O3Si
Molecular Weight552.66 g/mol
Exact Mass552.21
IUPAC Name2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(CCO)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C27H30F2N6O3Si/c1-17-32-23-12-20(28)27(25(29)26(23)35(17)16-37-9-10-39(2,3)4)38-19-5-6-21-22(11-19)33-24(14-30-21)18-13-31-34(15-18)7-8-36/h5-6,11-15,36H,7-10,16H2,1-4H3
InChIKeyUGXUEVWBLBYNAO-UHFFFAOYSA-N
XLogP5.53
TPSA100.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.66
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol (CID 164870603) is 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol is Cc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(CCO)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is UGXUEVWBLBYNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O3Si/c1-17-32-23-12-20(28)27(25(29)26(23)35(17)16-37-9-10-39(2,3)4)38-19-5-6-21-22(11-19)33-24(14-30-21)18-13-31-34(15-18)7-8-36/h5-6,11-15,36H,7-10,16H2,1-4H3.
What are the key properties of 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol?
2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 552.66 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 164870603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).