3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one

C18H14N2O3 — CID 67344082

IUPAC3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
SMILESO=C(/C=C/c1cccc(O)c1)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C18H14N2O3/c21-16-6-1-3-13(11-16)7-8-17(22)14-4-2-5-15(12-14)20-10-9-19-18(20)23/h1-12,21H,(H,19,23)/b8-7+
InChIKeyUOCJUYARXVPTFP-BQYQJAHWSA-N
MW306.32 g/mol
LogP2.77
Rot. Bonds4

About 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one

3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one (PubChem CID 67344082) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
PubChem CID67344082
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one
SMILESO=C(/C=C/c1cccc(O)c1)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C18H14N2O3/c21-16-6-1-3-13(11-16)7-8-17(22)14-4-2-5-15(12-14)20-10-9-19-18(20)23/h1-12,21H,(H,19,23)/b8-7+
InChIKeyUOCJUYARXVPTFP-BQYQJAHWSA-N
XLogP2.77
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
3-[3-[3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-4-(4-methoxyphenyl)-1H-imidazol-2-one
CID 123163951
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
3-(3-hydroxyphenyl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 72688449
2-[3-[(E)-3-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]isoindole-1,3-dione
CID 5337768
(E)-3-(3-hydroxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 9448445
5-(4-methylphenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 77473324
5-(4-fluorophenyl)-3-[3-(3-phenylprop-2-enoyl)phenyl]-1H-imidazol-2-one
CID 67341365
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
2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid
CID 103124324
3-[3-(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)phenyl]-1H-imidazol-2-one
CID 167761619

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one (CID 67344082) is 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one is O=C(/C=C/c1cccc(O)c1)c1cccc(-n2cc[nH]c2=O)c1.
What is the InChIKey of 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
The InChIKey is UOCJUYARXVPTFP-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-6-1-3-13(11-16)7-8-17(22)14-4-2-5-15(12-14)20-10-9-19-18(20)23/h1-12,21H,(H,19,23)/b8-7+.
What are the key properties of 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one?
3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one has a molecular weight of 306.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 67344082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).