(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione

C18H22N2O3 — CID 46233607

IUPAC(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)N1
InChIInChI=1S/C18H22N2O3/c21-17-16(19-18(22)20-17)12-14-6-8-15(9-7-14)23-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H2,19,20,21,22)/b16-12-
InChIKeyLPESZYRZJSTPLZ-VBKFSLOCSA-N
MW314.38 g/mol
LogP3.22
Rot. Bonds5

About (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione

(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 46233607) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID46233607
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)N1
InChIInChI=1S/C18H22N2O3/c21-17-16(19-18(22)20-17)12-14-6-8-15(9-7-14)23-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H2,19,20,21,22)/b16-12-
InChIKeyLPESZYRZJSTPLZ-VBKFSLOCSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione (CID 46233607) is (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)N1.
What is the InChIKey of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is LPESZYRZJSTPLZ-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17-16(19-18(22)20-17)12-14-6-8-15(9-7-14)23-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H2,19,20,21,22)/b16-12-.
What are the key properties of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 314.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 46233607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).