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

C23H17FN2O3 — CID 77270305

IUPAC3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one
SMILESCc1ccc(-c2cn(-c3cccc(C(=O)C=Cc4ccc(F)cc4)c3)c(=O)[nH]2)o1
InChIInChI=1S/C23H17FN2O3/c1-15-5-12-22(29-15)20-14-26(23(28)25-20)19-4-2-3-17(13-19)21(27)11-8-16-6-9-18(24)10-7-16/h2-14H,1H3,(H,25,28)
InChIKeyVFQWJCGVOJICJY-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.77
Rot. Bonds5

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

3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one (PubChem CID 77270305) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one
PubChem CID77270305
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one
SMILESCc1ccc(-c2cn(-c3cccc(C(=O)C=Cc4ccc(F)cc4)c3)c(=O)[nH]2)o1
InChIInChI=1S/C23H17FN2O3/c1-15-5-12-22(29-15)20-14-26(23(28)25-20)19-4-2-3-17(13-19)21(27)11-8-16-6-9-18(24)10-7-16/h2-14H,1H3,(H,25,28)
InChIKeyVFQWJCGVOJICJY-UHFFFAOYSA-N
XLogP4.77
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.77
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one (CID 77270305) is 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one is Cc1ccc(-c2cn(-c3cccc(C(=O)C=Cc4ccc(F)cc4)c3)c(=O)[nH]2)o1.
What is the InChIKey of 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one?
The InChIKey is VFQWJCGVOJICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-15-5-12-22(29-15)20-14-26(23(28)25-20)19-4-2-3-17(13-19)21(27)11-8-16-6-9-18(24)10-7-16/h2-14H,1H3,(H,25,28).
What are the key properties of 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one?
3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one has a molecular weight of 388.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-fluorophenyl)prop-2-enoyl]phenyl]-5-(5-methylfuran-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 77270305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).