2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C14H8ClIN2OS — CID 135539324

IUPAC2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2cc(I)ccc2Cl)=NC1=Cc1cccs1
InChIInChI=1S/C14H8ClIN2OS/c15-11-4-3-8(16)6-10(11)13-17-12(14(19)18-13)7-9-2-1-5-20-9/h1-7H,(H,17,18,19)
InChIKeyMGMJPQBSNQURNH-UHFFFAOYSA-N
MW414.66 g/mol
LogP3.92
Rot. Bonds2

About 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135539324) has the molecular formula C14H8ClIN2OS and a molecular weight of 414.66 g/mol. Its IUPAC name is 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135539324
Molecular FormulaC14H8ClIN2OS
Molecular Weight414.66 g/mol
Exact Mass413.91
IUPAC Name2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2cc(I)ccc2Cl)=NC1=Cc1cccs1
InChIInChI=1S/C14H8ClIN2OS/c15-11-4-3-8(16)6-10(11)13-17-12(14(19)18-13)7-9-2-1-5-20-9/h1-7H,(H,17,18,19)
InChIKeyMGMJPQBSNQURNH-UHFFFAOYSA-N
XLogP3.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 135486434
4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1H-imidazol-5-one
CID 135478451
(4Z)-4-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-1H-imidazol-5-one
CID 136893884
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
(4E)-2-benzyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893155
(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
CID 135519071
5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448
(3E)-6-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 963022
2-(2-chloro-5-iodophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 3095641
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893159
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 135539324) is 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2cc(I)ccc2Cl)=NC1=Cc1cccs1.
What is the InChIKey of 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is MGMJPQBSNQURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2OS/c15-11-4-3-8(16)6-10(11)13-17-12(14(19)18-13)7-9-2-1-5-20-9/h1-7H,(H,17,18,19).
What are the key properties of 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 414.66 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135539324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).