tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane

C23H33ClN2O3Si — CID 70249923

IUPACtert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane
SMILESCOc1ccc(OC)c(C(O[Si](C)(C)C(C)(C)C)C2C(CCl)N=C3C=CC=CN32)c1
InChIInChI=1S/C23H33ClN2O3Si/c1-23(2,3)30(6,7)29-22(17-14-16(27-4)11-12-19(17)28-5)21-18(15-24)25-20-10-8-9-13-26(20)21/h8-14,18,21-22H,15H2,1-7H3
InChIKeyODSRFPWOGODDIK-UHFFFAOYSA-N
MW449.07 g/mol
LogP5.54
Rot. Bonds7

About tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane

tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane (PubChem CID 70249923) has the molecular formula C23H33ClN2O3Si and a molecular weight of 449.07 g/mol. Its IUPAC name is tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane
PubChem CID70249923
Molecular FormulaC23H33ClN2O3Si
Molecular Weight449.07 g/mol
Exact Mass448.19
IUPAC Nametert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane
SMILESCOc1ccc(OC)c(C(O[Si](C)(C)C(C)(C)C)C2C(CCl)N=C3C=CC=CN32)c1
InChIInChI=1S/C23H33ClN2O3Si/c1-23(2,3)30(6,7)29-22(17-14-16(27-4)11-12-19(17)28-5)21-18(15-24)25-20-10-8-9-13-26(20)21/h8-14,18,21-22H,15H2,1-7H3
InChIKeyODSRFPWOGODDIK-UHFFFAOYSA-N
XLogP5.54
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.07
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
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1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane (CID 70249923) is tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane is COc1ccc(OC)c(C(O[Si](C)(C)C(C)(C)C)C2C(CCl)N=C3C=CC=CN32)c1.
What is the InChIKey of tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane?
The InChIKey is ODSRFPWOGODDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2O3Si/c1-23(2,3)30(6,7)29-22(17-14-16(27-4)11-12-19(17)28-5)21-18(15-24)25-20-10-8-9-13-26(20)21/h8-14,18,21-22H,15H2,1-7H3.
What are the key properties of tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane?
tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane has a molecular weight of 449.07 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(chloromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]-(2,5-dimethoxyphenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 70249923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).