methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate

C17H21N3O2Si — CID 156748409

IUPACmethyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate
SMILESCOC(=O)c1nc(C#C[Si](C)(C)C)c(C)n1-c1ccc(C)nc1
InChIInChI=1S/C17H21N3O2Si/c1-12-7-8-14(11-18-12)20-13(2)15(9-10-23(4,5)6)19-16(20)17(21)22-3/h7-8,11H,1-6H3
InChIKeyCYRXAMBRDULZHJ-UHFFFAOYSA-N
MW327.46 g/mol
LogP2.90
Rot. Bonds2

About methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate

methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate (PubChem CID 156748409) has the molecular formula C17H21N3O2Si and a molecular weight of 327.46 g/mol. Its IUPAC name is methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate
PubChem CID156748409
Molecular FormulaC17H21N3O2Si
Molecular Weight327.46 g/mol
Exact Mass327.14
IUPAC Namemethyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate
SMILESCOC(=O)c1nc(C#C[Si](C)(C)C)c(C)n1-c1ccc(C)nc1
InChIInChI=1S/C17H21N3O2Si/c1-12-7-8-14(11-18-12)20-13(2)15(9-10-23(4,5)6)19-16(20)17(21)22-3/h7-8,11H,1-6H3
InChIKeyCYRXAMBRDULZHJ-UHFFFAOYSA-N
XLogP2.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
CID 156748404
methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
CID 169495051
dimethyl 2-[(6-methyl-3-pyridinyl)methylidene]propanedioate
CID 138963152
4-hydroxy-1-(6-methyl-3-pyridinyl)-6-oxopyridine-2-carboxylic acid
CID 114207546
methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
CID 66640173
5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione
CID 177336311
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
CID 19423395
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 5-acetyl-2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 106697935
ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile
CID 171100787

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate?
The IUPAC name of methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate (CID 156748409) is methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate is COC(=O)c1nc(C#C[Si](C)(C)C)c(C)n1-c1ccc(C)nc1.
What is the InChIKey of methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate?
The InChIKey is CYRXAMBRDULZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2Si/c1-12-7-8-14(11-18-12)20-13(2)15(9-10-23(4,5)6)19-16(20)17(21)22-3/h7-8,11H,1-6H3.
What are the key properties of methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate?
methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate has a molecular weight of 327.46 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-(6-methyl-3-pyridinyl)-4-(2-trimethylsilylethynyl)imidazole-2-carboxylate is sourced from PubChem (CID 156748409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).