2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one

C21H14ClN3O3 — CID 176914447

IUPAC2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2cc(Cl)ccc2O)=NC1=Cc1cccc(Oc2cccnc2)c1
InChIInChI=1S/C21H14ClN3O3/c22-14-6-7-19(26)17(11-14)20-24-18(21(27)25-20)10-13-3-1-4-15(9-13)28-16-5-2-8-23-12-16/h1-12,26H,(H,24,25,27)
InChIKeyVIYKGRIOELGBPB-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.15
Rot. Bonds4

About 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one

2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 176914447) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID176914447
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2cc(Cl)ccc2O)=NC1=Cc1cccc(Oc2cccnc2)c1
InChIInChI=1S/C21H14ClN3O3/c22-14-6-7-19(26)17(11-14)20-24-18(21(27)25-20)10-13-3-1-4-15(9-13)28-16-5-2-8-23-12-16/h1-12,26H,(H,24,25,27)
InChIKeyVIYKGRIOELGBPB-UHFFFAOYSA-N
XLogP4.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914434
(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893256
(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893246
(4E)-2-(2,6-dimethoxyphenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893263
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914429
(4E)-2-pyridin-3-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894561
5-chloro-3-(pyridin-3-ylmethylidene)-2-benzofuran-1-one
CID 54459068
[4-chloro-2-[5-oxo-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-2-yl]phenyl] acetate
CID 175547428
(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914438
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one (CID 176914447) is 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2cc(Cl)ccc2O)=NC1=Cc1cccc(Oc2cccnc2)c1.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is VIYKGRIOELGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c22-14-6-7-19(26)17(11-14)20-24-18(21(27)25-20)10-13-3-1-4-15(9-13)28-16-5-2-8-23-12-16/h1-12,26H,(H,24,25,27).
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one?
2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 391.81 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 176914447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).