tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate

C23H45N3O2Sn — CID 158179634

IUPACtert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C)nc(N(C)C(=O)OC(C)(C)C)n1C
InChIInChI=1S/C11H18N3O2.3C4H9.Sn/c1-8-7-13(5)9(12-8)14(6)10(15)16-11(2,3)4;3*1-3-4-2;/h1-6H3;3*1,3-4H2,2H3;
InChIKeyFYKPVGWVGUNVOD-UHFFFAOYSA-N
MW514.34 g/mol
LogP6.16
Rot. Bonds11

About tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate

tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate (PubChem CID 158179634) has the molecular formula C23H45N3O2Sn and a molecular weight of 514.34 g/mol. Its IUPAC name is tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate
PubChem CID158179634
Molecular FormulaC23H45N3O2Sn
Molecular Weight514.34 g/mol
Exact Mass515.25
IUPAC Nametert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C)nc(N(C)C(=O)OC(C)(C)C)n1C
InChIInChI=1S/C11H18N3O2.3C4H9.Sn/c1-8-7-13(5)9(12-8)14(6)10(15)16-11(2,3)4;3*1-3-4-2;/h1-6H3;3*1,3-4H2,2H3;
InChIKeyFYKPVGWVGUNVOD-UHFFFAOYSA-N
XLogP6.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.34
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate (CID 158179634) is tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate is CCCC[Sn](CCCC)(CCCC)c1c(C)nc(N(C)C(=O)OC(C)(C)C)n1C.
What is the InChIKey of tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate?
The InChIKey is FYKPVGWVGUNVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O2.3C4H9.Sn/c1-8-7-13(5)9(12-8)14(6)10(15)16-11(2,3)4;3*1-3-4-2;/h1-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate?
tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate has a molecular weight of 514.34 g/mol, XLogP of 6.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,4-dimethyl-5-tributylstannylimidazol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 158179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).