1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine

C23H29ClN4O2Si — CID 123306956

IUPAC1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
SMILES[H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nc(CCl)cn3c2)cc1
InChIInChI=1S/C23H29ClN4O2Si/c1-31(2,3)13-12-29-17-26-22(10-11-25)18-4-6-20(7-5-18)30-21-8-9-23-27-19(14-24)15-28(23)16-21/h4-9,11,15-16,25H,10,12-14,17H2,1-3H3/b25-11+,26-22?
InChIKeyRMOCYEUHMMZEDH-GFHGEBNDSA-N
MW457.05 g/mol
LogP6.01
Rot. Bonds11

About 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine

1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine (PubChem CID 123306956) has the molecular formula C23H29ClN4O2Si and a molecular weight of 457.05 g/mol. Its IUPAC name is 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine.

Molecular Properties

Compound Name1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
PubChem CID123306956
Molecular FormulaC23H29ClN4O2Si
Molecular Weight457.05 g/mol
Exact Mass456.17
IUPAC Name1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
SMILES[H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nc(CCl)cn3c2)cc1
InChIInChI=1S/C23H29ClN4O2Si/c1-31(2,3)13-12-29-17-26-22(10-11-25)18-4-6-20(7-5-18)30-21-8-9-23-27-19(14-24)15-28(23)16-21/h4-9,11,15-16,25H,10,12-14,17H2,1-3H3/b25-11+,26-22?
InChIKeyRMOCYEUHMMZEDH-GFHGEBNDSA-N
XLogP6.01
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.05
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methylquinoxalin-6-yl)oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine
CID 123608925
2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol
CID 123321121
2-(chloromethyl)-6-ethoxyimidazo[1,2-a]pyridine
CID 19367133
2-(6-methoxyimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115018984
3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine
CID 154488509
4-[4-[(7-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]phenoxy]benzamide
CID 56548828
1-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82530473
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
5-bromo-2-(chloromethyl)-6-methoxyimidazo[1,2-a]pyridine
CID 134818940

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
The IUPAC name of 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine (CID 123306956) is 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine.
What is the SMILES notation for 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
The canonical SMILES for 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine is [H]/N=C/CC(=NCOCC[Si](C)(C)C)c1ccc(Oc2ccc3nc(CCl)cn3c2)cc1.
What is the InChIKey of 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
The InChIKey is RMOCYEUHMMZEDH-GFHGEBNDSA-N. The full InChI is InChI=1S/C23H29ClN4O2Si/c1-31(2,3)13-12-29-17-26-22(10-11-25)18-4-6-20(7-5-18)30-21-8-9-23-27-19(14-24)15-28(23)16-21/h4-9,11,15-16,25H,10,12-14,17H2,1-3H3/b25-11+,26-22?.
What are the key properties of 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine?
1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine has a molecular weight of 457.05 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-N-(2-trimethylsilylethoxymethyl)propane-1,3-diimine is sourced from PubChem (CID 123306956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).