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

C29H34F2N6O3Si — CID 164870601

IUPAC1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(CC(C)(C)O)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C29H34F2N6O3Si/c1-18-34-24-12-21(30)28(26(31)27(24)37(18)17-39-9-10-41(4,5)6)40-20-7-8-22-23(11-20)35-25(14-32-22)19-13-33-36(15-19)16-29(2,3)38/h7-8,11-15,38H,9-10,16-17H2,1-6H3
InChIKeyJQUXYGQWOBEIKR-UHFFFAOYSA-N
MW580.71 g/mol
LogP6.31
Rot. Bonds10

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

1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 164870601) has the molecular formula C29H34F2N6O3Si and a molecular weight of 580.71 g/mol. Its IUPAC name is 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID164870601
Molecular FormulaC29H34F2N6O3Si
Molecular Weight580.71 g/mol
Exact Mass580.24
IUPAC Name1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(CC(C)(C)O)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C29H34F2N6O3Si/c1-18-34-24-12-21(30)28(26(31)27(24)37(18)17-39-9-10-41(4,5)6)40-20-7-8-22-23(11-20)35-25(14-32-22)19-13-33-36(15-19)16-29(2,3)38/h7-8,11-15,38H,9-10,16-17H2,1-6H3
InChIKeyJQUXYGQWOBEIKR-UHFFFAOYSA-N
XLogP6.31
TPSA100.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 56.31
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 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 164870601) is 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is Cc1nc2cc(F)c(Oc3ccc4ncc(-c5cnn(CC(C)(C)O)c5)nc4c3)c(F)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is JQUXYGQWOBEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O3Si/c1-18-34-24-12-21(30)28(26(31)27(24)37(18)17-39-9-10-41(4,5)6)40-20-7-8-22-23(11-20)35-25(14-32-22)19-13-33-36(15-19)16-29(2,3)38/h7-8,11-15,38H,9-10,16-17H2,1-6H3.
What are the key properties of 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 580.71 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[4,6-difluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 164870601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).