2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one

C21H18BrN3O4 — CID 2910207

IUPAC2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccc(Br)c1)c1ccco1
InChIInChI=1S/C21H18BrN3O4/c22-15-5-1-4-14(12-15)18-17(19(26)16-6-2-11-29-16)20(27)21(28)25(18)9-3-8-24-10-7-23-13-24/h1-2,4-7,10-13,18,27H,3,8-9H2
InChIKeyGSUDRZSQEPAZSH-UHFFFAOYSA-N
MW456.30 g/mol
LogP3.91
Rot. Bonds7

About 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one

2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one (PubChem CID 2910207) has the molecular formula C21H18BrN3O4 and a molecular weight of 456.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
PubChem CID2910207
Molecular FormulaC21H18BrN3O4
Molecular Weight456.30 g/mol
Exact Mass455.05
IUPAC Name2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccc(Br)c1)c1ccco1
InChIInChI=1S/C21H18BrN3O4/c22-15-5-1-4-14(12-15)18-17(19(26)16-6-2-11-29-16)20(27)21(28)25(18)9-3-8-24-10-7-23-13-24/h1-2,4-7,10-13,18,27H,3,8-9H2
InChIKeyGSUDRZSQEPAZSH-UHFFFAOYSA-N
XLogP3.91
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 40862775
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 40863482
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 40860621
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 40964827
3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
CID 4637842
3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 662131
2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 3396730
2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 2927123
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one
CID 3424438
3-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 6971479
(5R)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 1312264
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[3-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3425188

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one (CID 2910207) is 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccc(Br)c1)c1ccco1.
What is the InChIKey of 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
The InChIKey is GSUDRZSQEPAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O4/c22-15-5-1-4-14(12-15)18-17(19(26)16-6-2-11-29-16)20(27)21(28)25(18)9-3-8-24-10-7-23-13-24/h1-2,4-7,10-13,18,27H,3,8-9H2.
What are the key properties of 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 456.30 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2910207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).