5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione

C28H42N2O3S — CID 146262975

IUPAC5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCCCC(Sc3ccc(OCC4CCCCCCC4)cc3)CCCC2)N1
InChIInChI=1S/C28H42N2O3S/c31-27-26(29-28(32)30-27)22-12-6-8-14-24(15-9-7-13-22)34-25-18-16-23(17-19-25)33-20-21-10-4-2-1-3-5-11-21/h16-19,21-22,24,26H,1-15,20H2,(H2,29,30,31,32)
InChIKeySOOSTZOYMRMEFN-UHFFFAOYSA-N
MW486.72 g/mol
LogP6.85
Rot. Bonds6

About 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione

5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione (PubChem CID 146262975) has the molecular formula C28H42N2O3S and a molecular weight of 486.72 g/mol. Its IUPAC name is 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione
PubChem CID146262975
Molecular FormulaC28H42N2O3S
Molecular Weight486.72 g/mol
Exact Mass486.29
IUPAC Name5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCCCC(Sc3ccc(OCC4CCCCCCC4)cc3)CCCC2)N1
InChIInChI=1S/C28H42N2O3S/c31-27-26(29-28(32)30-27)22-12-6-8-14-24(15-9-7-13-22)34-25-18-16-23(17-19-25)33-20-21-10-4-2-1-3-5-11-21/h16-19,21-22,24,26H,1-15,20H2,(H2,29,30,31,32)
InChIKeySOOSTZOYMRMEFN-UHFFFAOYSA-N
XLogP6.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.72
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione (CID 146262975) is 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C2CCCCC(Sc3ccc(OCC4CCCCCCC4)cc3)CCCC2)N1.
What is the InChIKey of 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione?
The InChIKey is SOOSTZOYMRMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O3S/c31-27-26(29-28(32)30-27)22-12-6-8-14-24(15-9-7-13-22)34-25-18-16-23(17-19-25)33-20-21-10-4-2-1-3-5-11-21/h16-19,21-22,24,26H,1-15,20H2,(H2,29,30,31,32).
What are the key properties of 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione?
5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione has a molecular weight of 486.72 g/mol, XLogP of 6.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(cyclooctylmethoxy)phenyl]sulfanylcyclodecyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).