5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin

C26H47FN2OSn — CID 141281508

IUPAC5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnc(C(C(C)(C)C)C2(F)CCOCC2)[nH]1
InChIInChI=1S/C13H20FN2O.C13H27.Sn/c1-12(2,3)10(11-15-6-7-16-11)13(14)4-8-17-9-5-13;1-4-7-10-13(11-8-5-2)12-9-6-3;/h6,10H,4-5,8-9H2,1-3H3,(H,15,16);4-12H2,1-3H3;
InChIKeyMHBGQSJMZMZJOS-UHFFFAOYSA-N
MW541.38 g/mol
LogP7.12
Rot. Bonds13

About 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin

5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin (PubChem CID 141281508) has the molecular formula C26H47FN2OSn and a molecular weight of 541.38 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin
PubChem CID141281508
Molecular FormulaC26H47FN2OSn
Molecular Weight541.38 g/mol
Exact Mass542.27
IUPAC Name5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnc(C(C(C)(C)C)C2(F)CCOCC2)[nH]1
InChIInChI=1S/C13H20FN2O.C13H27.Sn/c1-12(2,3)10(11-15-6-7-16-11)13(14)4-8-17-9-5-13;1-4-7-10-13(11-8-5-2)12-9-6-3;/h6,10H,4-5,8-9H2,1-3H3,(H,15,16);4-12H2,1-3H3;
InChIKeyMHBGQSJMZMZJOS-UHFFFAOYSA-N
XLogP7.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.38
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin (CID 141281508) is 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1cnc(C(C(C)(C)C)C2(F)CCOCC2)[nH]1.
What is the InChIKey of 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin?
The InChIKey is MHBGQSJMZMZJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN2O.C13H27.Sn/c1-12(2,3)10(11-15-6-7-16-11)13(14)4-8-17-9-5-13;1-4-7-10-13(11-8-5-2)12-9-6-3;/h6,10H,4-5,8-9H2,1-3H3,(H,15,16);4-12H2,1-3H3;.
What are the key properties of 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin?
5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin has a molecular weight of 541.38 g/mol, XLogP of 7.12, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin is sourced from PubChem (CID 141281508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).