tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane

C23H38N2OSn — CID 118703700

IUPACtributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)c(-c2ccccc2OC)n1
InChIInChI=1S/C11H11N2O.3C4H9.Sn/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;3*1-3-4-2;/h3-6,8H,1-2H3;3*1,3-4H2,2H3;
InChIKeyYMOCYGOXKFRCGG-UHFFFAOYSA-N
MW477.28 g/mol
LogP6.15
Rot. Bonds12

About tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane

tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane (PubChem CID 118703700) has the molecular formula C23H38N2OSn and a molecular weight of 477.28 g/mol. Its IUPAC name is tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane
PubChem CID118703700
Molecular FormulaC23H38N2OSn
Molecular Weight477.28 g/mol
Exact Mass478.20
IUPAC Nametributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)c(-c2ccccc2OC)n1
InChIInChI=1S/C11H11N2O.3C4H9.Sn/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;3*1-3-4-2;/h3-6,8H,1-2H3;3*1,3-4H2,2H3;
InChIKeyYMOCYGOXKFRCGG-UHFFFAOYSA-N
XLogP6.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.28
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]isoquinoline
CID 171732543
[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
4-ethyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 748123
bis(dodecane);ethane;2-[4-(2-hydroxyphenyl)-6-(2-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;propane
CID 160918309
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
tributyl(phenanthridin-6-yl)stannane
CID 171832720
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
CID 82144688
5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360682
1-bromo-3-(2-methoxyphenyl)imidazo[1,5-a]pyridin-5-ol
CID 117250766

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane?
The IUPAC name of tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane (CID 118703700) is tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane.
What is the SMILES notation for tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane?
The canonical SMILES for tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn(C)c(-c2ccccc2OC)n1.
What is the InChIKey of tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane?
The InChIKey is YMOCYGOXKFRCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O.3C4H9.Sn/c1-13-8-7-12-11(13)9-5-3-4-6-10(9)14-2;3*1-3-4-2;/h3-6,8H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane?
tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane has a molecular weight of 477.28 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(2-methoxyphenyl)-1-methylimidazol-4-yl]stannane is sourced from PubChem (CID 118703700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).