4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one

C17H32F2N2O3 — CID 139925638

IUPAC4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
SMILESCCC(OC)C(CC)N1C(=O)N(C(C(C)C)C(C)OC)CC1(F)F
InChIInChI=1S/C17H32F2N2O3/c1-8-13(14(9-2)24-7)21-16(22)20(10-17(21,18)19)15(11(3)4)12(5)23-6/h11-15H,8-10H2,1-7H3
InChIKeyYWTNXYVVMQGWFS-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.58
Rot. Bonds9

About 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one

4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one (PubChem CID 139925638) has the molecular formula C17H32F2N2O3 and a molecular weight of 350.45 g/mol. Its IUPAC name is 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
PubChem CID139925638
Molecular FormulaC17H32F2N2O3
Molecular Weight350.45 g/mol
Exact Mass350.24
IUPAC Name4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
SMILESCCC(OC)C(CC)N1C(=O)N(C(C(C)C)C(C)OC)CC1(F)F
InChIInChI=1S/C17H32F2N2O3/c1-8-13(14(9-2)24-7)21-16(22)20(10-17(21,18)19)15(11(3)4)12(5)23-6/h11-15H,8-10H2,1-7H3
InChIKeyYWTNXYVVMQGWFS-UHFFFAOYSA-N
XLogP3.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one?
The IUPAC name of 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one (CID 139925638) is 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one.
What is the SMILES notation for 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one?
The canonical SMILES for 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one is CCC(OC)C(CC)N1C(=O)N(C(C(C)C)C(C)OC)CC1(F)F.
What is the InChIKey of 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one?
The InChIKey is YWTNXYVVMQGWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O3/c1-8-13(14(9-2)24-7)21-16(22)20(10-17(21,18)19)15(11(3)4)12(5)23-6/h11-15H,8-10H2,1-7H3.
What are the key properties of 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one?
4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one has a molecular weight of 350.45 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 139925638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).