methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate

C19H14BrN3O5 — CID 135716812

IUPACmethyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(O)c(/C=C3\C=Nc4ccc(Br)cc43)[nH]c2=O)o1
InChIInChI=1S/C19H14BrN3O5/c1-27-18(25)16-5-3-12(28-16)9-23-17(24)15(22-19(23)26)6-10-8-21-14-4-2-11(20)7-13(10)14/h2-8,24H,9H2,1H3,(H,22,26)/b10-6+
InChIKeyZWGGJBQFVCJWJS-UXBLZVDNSA-N
MW444.24 g/mol
LogP3.33
Rot. Bonds4

About methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate

methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate (PubChem CID 135716812) has the molecular formula C19H14BrN3O5 and a molecular weight of 444.24 g/mol. Its IUPAC name is methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate
PubChem CID135716812
Molecular FormulaC19H14BrN3O5
Molecular Weight444.24 g/mol
Exact Mass443.01
IUPAC Namemethyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(O)c(/C=C3\C=Nc4ccc(Br)cc43)[nH]c2=O)o1
InChIInChI=1S/C19H14BrN3O5/c1-27-18(25)16-5-3-12(28-16)9-23-17(24)15(22-19(23)26)6-10-8-21-14-4-2-11(20)7-13(10)14/h2-8,24H,9H2,1H3,(H,22,26)/b10-6+
InChIKeyZWGGJBQFVCJWJS-UXBLZVDNSA-N
XLogP3.33
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-bromoindol-3-ylidene)methyl]-1-[(2-chlorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 1309660
methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate
CID 46397823
methyl 5-[[5-[(5-bromo-2-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate
CID 5152749
2-[4-bromo-2-[[1-[(5-methoxycarbonylfuran-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 3599062
methyl 5-[[(5E)-5-[(4-bromothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate
CID 6173332
methyl 5-[[(4Z)-4-[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6249787
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(3-phenylpropyl)-1,3-thiazol-2-one
CID 137126952
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[[(4Z)-4-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126402544
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
methyl 5-[[(4E)-4-[[5-bromo-2-(4-methylbenzoyl)oxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126414777
5-[(5-bromoindol-3-ylidene)methyl]-1-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 4625058

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate (CID 135716812) is methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2c(O)c(/C=C3\C=Nc4ccc(Br)cc43)[nH]c2=O)o1.
What is the InChIKey of methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate?
The InChIKey is ZWGGJBQFVCJWJS-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H14BrN3O5/c1-27-18(25)16-5-3-12(28-16)9-23-17(24)15(22-19(23)26)6-10-8-21-14-4-2-11(20)7-13(10)14/h2-8,24H,9H2,1H3,(H,22,26)/b10-6+.
What are the key properties of methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate?
methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate has a molecular weight of 444.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 135716812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).