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

C17H20N2O — CID 136895662

IUPAC(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1cc(C)c(/C=C2\N=C(C3CCC3)NC2=O)c(C)c1
InChIInChI=1S/C17H20N2O/c1-10-7-11(2)14(12(3)8-10)9-15-17(20)19-16(18-15)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,18,19,20)/b15-9-
InChIKeyKHROMXXZSUEPKH-DHDCSXOGSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds2

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

(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895662) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895662
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1cc(C)c(/C=C2\N=C(C3CCC3)NC2=O)c(C)c1
InChIInChI=1S/C17H20N2O/c1-10-7-11(2)14(12(3)8-10)9-15-17(20)19-16(18-15)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,18,19,20)/b15-9-
InChIKeyKHROMXXZSUEPKH-DHDCSXOGSA-N
XLogP3.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
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-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one (CID 136895662) is (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one is Cc1cc(C)c(/C=C2\N=C(C3CCC3)NC2=O)c(C)c1.
What is the InChIKey of (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is KHROMXXZSUEPKH-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H20N2O/c1-10-7-11(2)14(12(3)8-10)9-15-17(20)19-16(18-15)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,18,19,20)/b15-9-.
What are the key properties of (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 268.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).