(5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one

C25H21FN2O4 — CID 11654923

IUPAC(5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C25H21FN2O4/c1-30-21-10-5-4-7-16(21)13-20-25(29)28(19-9-6-8-18(26)15-19)24(27-20)17-11-12-22(31-2)23(14-17)32-3/h4-15H,1-3H3/b20-13-
InChIKeyPYDCMRBOPSEUJW-MOSHPQCFSA-N
MW432.45 g/mol
LogP4.69
Rot. Bonds6

About (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one

(5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (PubChem CID 11654923) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
PubChem CID11654923
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name(5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C25H21FN2O4/c1-30-21-10-5-4-7-16(21)13-20-25(29)28(19-9-6-8-18(26)15-19)24(27-20)17-11-12-22(31-2)23(14-17)32-3/h4-15H,1-3H3/b20-13-
InChIKeyPYDCMRBOPSEUJW-MOSHPQCFSA-N
XLogP4.69
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (CID 11654923) is (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2cccc(F)c2)C1=O.
What is the InChIKey of (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is PYDCMRBOPSEUJW-MOSHPQCFSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-30-21-10-5-4-7-16(21)13-20-25(29)28(19-9-6-8-18(26)15-19)24(27-20)17-11-12-22(31-2)23(14-17)32-3/h4-15H,1-3H3/b20-13-.
What are the key properties of (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
(5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 432.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 11654923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).