3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one

C21H16N2O4 — CID 58097571

IUPAC3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one
SMILESCC(=O)Cc1ccc2oc(-c3ccc(-n4ccnc4)cc3)c(O)c(=O)c2c1
InChIInChI=1S/C21H16N2O4/c1-13(24)10-14-2-7-18-17(11-14)19(25)20(26)21(27-18)15-3-5-16(6-4-15)23-9-8-22-12-23/h2-9,11-12,26H,10H2,1H3
InChIKeyDXVBWXSBPHZFIT-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.48
Rot. Bonds4

About 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one

3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one (PubChem CID 58097571) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one
PubChem CID58097571
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one
SMILESCC(=O)Cc1ccc2oc(-c3ccc(-n4ccnc4)cc3)c(O)c(=O)c2c1
InChIInChI=1S/C21H16N2O4/c1-13(24)10-14-2-7-18-17(11-14)19(25)20(26)21(27-18)15-3-5-16(6-4-15)23-9-8-22-12-23/h2-9,11-12,26H,10H2,1H3
InChIKeyDXVBWXSBPHZFIT-UHFFFAOYSA-N
XLogP3.48
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
(4-imidazol-1-ylphenyl) acetate
CID 594823
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-one
CID 5319626
[2-[4-(dibutylamino)phenyl]-3-hydroxy-4-oxochromen-6-yl]methyl-trimethylazanium
CID 101356092
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one?
The IUPAC name of 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one (CID 58097571) is 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one is CC(=O)Cc1ccc2oc(-c3ccc(-n4ccnc4)cc3)c(O)c(=O)c2c1.
What is the InChIKey of 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one?
The InChIKey is DXVBWXSBPHZFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13(24)10-14-2-7-18-17(11-14)19(25)20(26)21(27-18)15-3-5-16(6-4-15)23-9-8-22-12-23/h2-9,11-12,26H,10H2,1H3.
What are the key properties of 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one?
3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one has a molecular weight of 360.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one is sourced from PubChem (CID 58097571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).