2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one

C19H16ClIN2O — CID 135486434

IUPAC2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
SMILESCC(C)c1ccc(C=C2N=C(c3cc(I)ccc3Cl)NC2=O)cc1
InChIInChI=1S/C19H16ClIN2O/c1-11(2)13-5-3-12(4-6-13)9-17-19(24)23-18(22-17)15-10-14(21)7-8-16(15)20/h3-11H,1-2H3,(H,22,23,24)
InChIKeyWWFJATLNLNIAAG-UHFFFAOYSA-N
MW450.71 g/mol
LogP4.99
Rot. Bonds3

About 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one

2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135486434) has the molecular formula C19H16ClIN2O and a molecular weight of 450.71 g/mol. Its IUPAC name is 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135486434
Molecular FormulaC19H16ClIN2O
Molecular Weight450.71 g/mol
Exact Mass450.00
IUPAC Name2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
SMILESCC(C)c1ccc(C=C2N=C(c3cc(I)ccc3Cl)NC2=O)cc1
InChIInChI=1S/C19H16ClIN2O/c1-11(2)13-5-3-12(4-6-13)9-17-19(24)23-18(22-17)15-10-14(21)7-8-16(15)20/h3-11H,1-2H3,(H,22,23,24)
InChIKeyWWFJATLNLNIAAG-UHFFFAOYSA-N
XLogP4.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.71
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 19673561
2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135539324
(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136894052
4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1H-imidazol-5-one
CID 135478451
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chlorophenyl)-1H-imidazol-5-one
CID 135519720
(4E)-2-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-imidazol-5-one
CID 136894359
(4E)-2-(2-methylphenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893303
(4Z)-2-(2-chloro-5-iodophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-5-one
CID 22303400
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one (CID 135486434) is 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one is CC(C)c1ccc(C=C2N=C(c3cc(I)ccc3Cl)NC2=O)cc1.
What is the InChIKey of 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is WWFJATLNLNIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClIN2O/c1-11(2)13-5-3-12(4-6-13)9-17-19(24)23-18(22-17)15-10-14(21)7-8-16(15)20/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 450.71 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135486434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).