(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one

C18H22N2O — CID 136895663

IUPAC(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1cc(C)c(/C=C2\N=C(C3CCCC3)NC2=O)c(C)c1
InChIInChI=1S/C18H22N2O/c1-11-8-12(2)15(13(3)9-11)10-16-18(21)20-17(19-16)14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,19,20,21)/b16-10-
InChIKeySOLZDRHDPFEHBG-YBEGLDIGSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds2

About (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895663) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895663
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1cc(C)c(/C=C2\N=C(C3CCCC3)NC2=O)c(C)c1
InChIInChI=1S/C18H22N2O/c1-11-8-12(2)15(13(3)9-11)10-16-18(21)20-17(19-16)14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,19,20,21)/b16-10-
InChIKeySOLZDRHDPFEHBG-YBEGLDIGSA-N
XLogP3.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one (CID 136895663) is (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one is Cc1cc(C)c(/C=C2\N=C(C3CCCC3)NC2=O)c(C)c1.
What is the InChIKey of (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is SOLZDRHDPFEHBG-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-8-12(2)15(13(3)9-11)10-16-18(21)20-17(19-16)14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,19,20,21)/b16-10-.
What are the key properties of (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 282.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-cyclopentyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).