(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one

C18H17N3O2 — CID 136893228

IUPAC(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
SMILESCOc1ccc(CCC2=N/C(=C/c3ccccn3)C(=O)N2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-15-8-5-13(6-9-15)7-10-17-20-16(18(22)21-17)12-14-4-2-3-11-19-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21,22)/b16-12+
InChIKeyMWZGGSRFLNBGIY-FOWTUZBSSA-N
MW307.35 g/mol
LogP2.59
Rot. Bonds5

About (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one

(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 136893228) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID136893228
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
SMILESCOc1ccc(CCC2=N/C(=C/c3ccccn3)C(=O)N2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-15-8-5-13(6-9-15)7-10-17-20-16(18(22)21-17)12-14-4-2-3-11-19-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21,22)/b16-12+
InChIKeyMWZGGSRFLNBGIY-FOWTUZBSSA-N
XLogP2.59
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893446
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895339
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894129
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895394
(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893445
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136895921
(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 137201426
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894491
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895234
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895928
(4E)-4-[(3-bromophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-one
CID 136894631
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894330

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one (CID 136893228) is (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one is COc1ccc(CCC2=N/C(=C/c3ccccn3)C(=O)N2)cc1.
What is the InChIKey of (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is MWZGGSRFLNBGIY-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-15-8-5-13(6-9-15)7-10-17-20-16(18(22)21-17)12-14-4-2-3-11-19-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21,22)/b16-12+.
What are the key properties of (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one?
(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 307.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 136893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).