5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

C19H13BrFN3O2 — CID 135679531

IUPAC5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(/C=C2\C=Nc3ccc(Br)cc32)c(O)n1Cc1ccccc1F
InChIInChI=1S/C19H13BrFN3O2/c20-13-5-6-16-14(8-13)12(9-22-16)7-17-18(25)24(19(26)23-17)10-11-3-1-2-4-15(11)21/h1-9,25H,10H2,(H,23,26)/b12-7+
InChIKeyRDJYQZQAVQBMBU-KPKJPENVSA-N
MW414.23 g/mol
LogP4.09
Rot. Bonds3

About 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 135679531) has the molecular formula C19H13BrFN3O2 and a molecular weight of 414.23 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID135679531
Molecular FormulaC19H13BrFN3O2
Molecular Weight414.23 g/mol
Exact Mass413.02
IUPAC Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(/C=C2\C=Nc3ccc(Br)cc32)c(O)n1Cc1ccccc1F
InChIInChI=1S/C19H13BrFN3O2/c20-13-5-6-16-14(8-13)12(9-22-16)7-17-18(25)24(19(26)23-17)10-11-3-1-2-4-15(11)21/h1-9,25H,10H2,(H,23,26)/b12-7+
InChIKeyRDJYQZQAVQBMBU-KPKJPENVSA-N
XLogP4.09
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.23
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromo-1H-indol-3-yl)methylene]-2,4-imidazolidinedione
CID 135432788
5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 135451191
5-[(5-Bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1399226
3-(2-fluorobenzyl)-5-(1H-indol-3-ylmethylene)-2,4-imidazolidinedione
CID 135432741
5-[(5-Bromoindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1987522
5-[(5-Bromoindol-3-ylidene)methyl]-1-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 4625058
5-[(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
CID 5189479
(5Z)-1-(4-bromophenyl)-5-(1H-indol-3-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135414107
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
CID 135936156
3-[(2-fluorophenyl)methyl]-5-(1H-indol-3-ylmethylidene)imidazolidine-2,4-dione
CID 900291
5-((5-Bromo-1h-indol-3-yl)methylene)-3-(2,6-difluorobenzyl)thiazolidine-2,4-dione
CID 145706602
5-[(5-bromo-1H-indol-3-yl)methylene]-1-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135490119

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (CID 135679531) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is O=c1[nH]c(/C=C2\C=Nc3ccc(Br)cc32)c(O)n1Cc1ccccc1F.
What is the InChIKey of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is RDJYQZQAVQBMBU-KPKJPENVSA-N. The full InChI is InChI=1S/C19H13BrFN3O2/c20-13-5-6-16-14(8-13)12(9-22-16)7-17-18(25)24(19(26)23-17)10-11-3-1-2-4-15(11)21/h1-9,25H,10H2,(H,23,26)/b12-7+.
What are the key properties of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 414.23 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 135679531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).