(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one

C15H10FN3O — CID 136893570

IUPAC(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one
SMILESO=C1NC(c2cccnc2)=N/C1=C\c1ccccc1F
InChIInChI=1S/C15H10FN3O/c16-12-6-2-1-4-10(12)8-13-15(20)19-14(18-13)11-5-3-7-17-9-11/h1-9H,(H,18,19,20)/b13-8-
InChIKeyMZCUWGKZCQHUHB-JYRVWZFOSA-N
MW267.26 g/mol
LogP2.14
Rot. Bonds2

About (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one

(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one (PubChem CID 136893570) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one
PubChem CID136893570
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one
SMILESO=C1NC(c2cccnc2)=N/C1=C\c1ccccc1F
InChIInChI=1S/C15H10FN3O/c16-12-6-2-1-4-10(12)8-13-15(20)19-14(18-13)11-5-3-7-17-9-11/h1-9H,(H,18,19,20)/b13-8-
InChIKeyMZCUWGKZCQHUHB-JYRVWZFOSA-N
XLogP2.14
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.14
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-3-yl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893190
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
(4E)-2-pyridin-4-yl-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893246
(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893256
(4E)-2-pyridin-3-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894561
(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893587
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517615
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894727
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(5Z)-5-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527435
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894824

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one (CID 136893570) is (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one is O=C1NC(c2cccnc2)=N/C1=C\c1ccccc1F.
What is the InChIKey of (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one?
The InChIKey is MZCUWGKZCQHUHB-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-12-6-2-1-4-10(12)8-13-15(20)19-14(18-13)11-5-3-7-17-9-11/h1-9H,(H,18,19,20)/b13-8-.
What are the key properties of (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one?
(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one has a molecular weight of 267.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one is sourced from PubChem (CID 136893570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).