5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one

C24H17FN2O2 — CID 67341365

IUPAC5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
SMILESO=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)c1
InChIInChI=1S/C24H17FN2O2/c25-20-12-10-18(11-13-20)22-16-27(24(29)26-22)21-8-4-7-19(15-21)23(28)14-9-17-5-2-1-3-6-17/h1-16H,(H,26,29)
InChIKeySGKOEBRWMMLSEH-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.87
Rot. Bonds5

About 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one

5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one (PubChem CID 67341365) has the molecular formula C24H17FN2O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
PubChem CID67341365
Molecular FormulaC24H17FN2O2
Molecular Weight384.41 g/mol
Exact Mass384.13
IUPAC Name5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
SMILESO=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)c1
InChIInChI=1S/C24H17FN2O2/c25-20-12-10-18(11-13-20)22-16-27(24(29)26-22)21-8-4-7-19(15-21)23(28)14-9-17-5-2-1-3-6-17/h1-16H,(H,26,29)
InChIKeySGKOEBRWMMLSEH-UHFFFAOYSA-N
XLogP4.87
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.87
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

5-(4-methylphenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 77473324
5-naphthalen-2-yl-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67342786
5-(furan-2-yl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67343703
3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67344051
3-[3-(3-phenylprop-2-enoyl)phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 77270464
3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 77270255
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 75254619
3-[3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
CID 67342824
5-(5-chlorofuran-2-yl)-3-[3-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 89432971
3-[3-[(E)-3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]phenyl]-5-naphthalen-2-yl-1H-imidazol-2-one
CID 89432959
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
CID 137321349
5-(5-chlorofuran-2-yl)-3-[3-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
CID 77275878

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one (CID 67341365) is 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one is O=C(C=Cc1ccccc1)c1cccc(-n2cc(-c3ccc(F)cc3)[nH]c2=O)c1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
The InChIKey is SGKOEBRWMMLSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O2/c25-20-12-10-18(11-13-20)22-16-27(24(29)26-22)21-8-4-7-19(15-21)23(28)14-9-17-5-2-1-3-6-17/h1-16H,(H,26,29).
What are the key properties of 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one?
5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one has a molecular weight of 384.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 67341365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).