4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C12H8BrN3O2 — CID 3292978

IUPAC4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=C2C=Nc3ccc(Br)cc32)[nH]1
InChIInChI=1S/C12H8BrN3O2/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(17)16-12(18)15-10/h1-5,17H,(H2,15,16,18)
InChIKeyCKZLUYROWPQTLH-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.43
Rot. Bonds1

About 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 3292978) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID3292978
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=C2C=Nc3ccc(Br)cc32)[nH]1
InChIInChI=1S/C12H8BrN3O2/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(17)16-12(18)15-10/h1-5,17H,(H2,15,16,18)
InChIKeyCKZLUYROWPQTLH-UHFFFAOYSA-N
XLogP2.43
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CID 135411750
5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
CID 136016503
4-[(Z)-(4-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazole-2-thione
CID 136118635
4-[(Z)-(7-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazole-2-thione
CID 136118637
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1,3-dimethyl-2-methyliminoimidazol-4-ol
CID 136118659
5-[(5-bromo-1H-indol-3-yl)methylene]-2,4-imidazolidinedione
CID 135432788
5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
CID 135753560
Cmnpd3494
CID 227252
5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 135451191
4-[(Z)-(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazole-2-thione
CID 135501716
4-[(Z)-(6-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazole-2-thione
CID 136118636
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
CID 136056019

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 3292978) is 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C=C2C=Nc3ccc(Br)cc32)[nH]1.
What is the InChIKey of 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is CKZLUYROWPQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(17)16-12(18)15-10/h1-5,17H,(H2,15,16,18).
What are the key properties of 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 306.12 g/mol, XLogP of 2.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 3292978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).