(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one

C20H19FN2O4 — CID 136894578

IUPAC(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(Cc3ccc(F)cc3)NC2=O)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O4/c1-25-16-9-13(10-17(26-2)19(16)27-3)8-15-20(24)23-18(22-15)11-12-4-6-14(21)7-5-12/h4-10H,11H2,1-3H3,(H,22,23,24)/b15-8+
InChIKeyNVDIMVQFTHBSGH-OVCLIPMQSA-N
MW370.38 g/mol
LogP2.96
Rot. Bonds6

About (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136894578) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136894578
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(Cc3ccc(F)cc3)NC2=O)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O4/c1-25-16-9-13(10-17(26-2)19(16)27-3)8-15-20(24)23-18(22-15)11-12-4-6-14(21)7-5-12/h4-10H,11H2,1-3H3,(H,22,23,24)/b15-8+
InChIKeyNVDIMVQFTHBSGH-OVCLIPMQSA-N
XLogP2.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134145196
(2Z)-7-methoxy-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 168270131
4-[2-(4-fluorophenyl)ethylamino]-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-1,3,5-triazin-2-one
CID 156634788
2-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 3417028
(5E)-3-methyl-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 5715024
(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 70808993
4(1H)-Pyrimidinone, 2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]-
CID 135483767
4(1H)-Pyrimidinone, 2-butoxy-6-((3,4,5-trimethoxyphenyl)methyl)-
CID 135538687
3-phenyl-2-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974804
(5E)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-3H-imidazol-4-one
CID 135448406
(z)-5-(4-Methoxybenzylidene)-2-phenethyl-3,5-dihydro-4h-imidazol-4-one
CID 155295826
(z)-5-(3-Methoxybenzylidene)-2-phenethyl-3,5-dihydro-4h-imidazol-4-one
CID 155295827

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136894578) is (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is COc1cc(/C=C2/N=C(Cc3ccc(F)cc3)NC2=O)cc(OC)c1OC.
What is the InChIKey of (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is NVDIMVQFTHBSGH-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-25-16-9-13(10-17(26-2)19(16)27-3)8-15-20(24)23-18(22-15)11-12-4-6-14(21)7-5-12/h4-10H,11H2,1-3H3,(H,22,23,24)/b15-8+.
What are the key properties of (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 370.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136894578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).