4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one

C12H9N3O2 — CID 135411750

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)[nH]1
InChIInChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H2,14,15,17)/b7-5+
InChIKeyRBTNARRBWGUBEI-FNORWQNLSA-N
MW227.22 g/mol
LogP1.67
Rot. Bonds1

About 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one (PubChem CID 135411750) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one
PubChem CID135411750
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)[nH]1
InChIInChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H2,14,15,17)/b7-5+
InChIKeyRBTNARRBWGUBEI-FNORWQNLSA-N
XLogP1.67
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one (CID 135411750) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)[nH]1.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is RBTNARRBWGUBEI-FNORWQNLSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H2,14,15,17)/b7-5+.
What are the key properties of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one?
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 135411750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).