(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one

C15H10ClN3O — CID 136893256

IUPAC(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1cccnc1
InChIInChI=1S/C15H10ClN3O/c16-12-5-3-11(4-6-12)14-18-13(15(20)19-14)8-10-2-1-7-17-9-10/h1-9H,(H,18,19,20)/b13-8+
InChIKeyWUBFOYVTUAIMCV-MDWZMJQESA-N
MW283.72 g/mol
LogP2.65
Rot. Bonds2

About (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one

(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893256) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893256
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1cccnc1
InChIInChI=1S/C15H10ClN3O/c16-12-5-3-11(4-6-12)14-18-13(15(20)19-14)8-10-2-1-7-17-9-10/h1-9H,(H,18,19,20)/b13-8+
InChIKeyWUBFOYVTUAIMCV-MDWZMJQESA-N
XLogP2.65
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893246
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4E)-2-(2,6-dimethoxyphenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893263
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
CID 136665622
(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one
CID 136893570
2-(5-chloro-2-hydroxyphenyl)-4-[(3-pyridin-3-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914447
(4E)-2-pyridin-3-yl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893190
(4E)-2-pyridin-3-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894561
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608
(5E)-5-[(4-chlorophenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
CID 126963297

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one (CID 136893256) is (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1cccnc1.
What is the InChIKey of (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is WUBFOYVTUAIMCV-MDWZMJQESA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-5-3-11(4-6-12)14-18-13(15(20)19-14)8-10-2-1-7-17-9-10/h1-9H,(H,18,19,20)/b13-8+.
What are the key properties of (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 283.72 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).