3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid

C15H20N2O2Sn — CID 69222485

IUPAC3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid
SMILESCC(c1ccc([Sn](C)(C)C)cc1)n1cncc1C(=O)O
InChIInChI=1S/C12H11N2O2.3CH3.Sn/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16;;;;/h3-9H,1H3,(H,15,16);3*1H3;
InChIKeyBPQUCZJDMUBCGK-UHFFFAOYSA-N
MW379.05 g/mol
LogP2.74
Rot. Bonds4

About 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid

3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid (PubChem CID 69222485) has the molecular formula C15H20N2O2Sn and a molecular weight of 379.05 g/mol. Its IUPAC name is 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid
PubChem CID69222485
Molecular FormulaC15H20N2O2Sn
Molecular Weight379.05 g/mol
Exact Mass380.05
IUPAC Name3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid
SMILESCC(c1ccc([Sn](C)(C)C)cc1)n1cncc1C(=O)O
InChIInChI=1S/C12H11N2O2.3CH3.Sn/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16;;;;/h3-9H,1H3,(H,15,16);3*1H3;
InChIKeyBPQUCZJDMUBCGK-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid (CID 69222485) is 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid is CC(c1ccc([Sn](C)(C)C)cc1)n1cncc1C(=O)O.
What is the InChIKey of 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid?
The InChIKey is BPQUCZJDMUBCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O2.3CH3.Sn/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16;;;;/h3-9H,1H3,(H,15,16);3*1H3;.
What are the key properties of 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid?
3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid has a molecular weight of 379.05 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-trimethylstannylphenyl)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 69222485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).