5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol

C18H13N3O — CID 135986108

IUPAC5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol
SMILESOc1nc(-c2ccccc2)[nH]c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C18H13N3O/c22-18-16(20-17(21-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,22H,(H,20,21)/b13-10+
InChIKeyJDEMKGYSIBETQE-JLHYYAGUSA-N
MW287.32 g/mol
LogP4.04
Rot. Bonds2

About 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol

5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol (PubChem CID 135986108) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol
PubChem CID135986108
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol
SMILESOc1nc(-c2ccccc2)[nH]c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C18H13N3O/c22-18-16(20-17(21-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,22H,(H,20,21)/b13-10+
InChIKeyJDEMKGYSIBETQE-JLHYYAGUSA-N
XLogP4.04
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol?
The IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol (CID 135986108) is 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol.
What is the SMILES notation for 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol?
The canonical SMILES for 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol is Oc1nc(-c2ccccc2)[nH]c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol?
The InChIKey is JDEMKGYSIBETQE-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-16(20-17(21-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,22H,(H,20,21)/b13-10+.
What are the key properties of 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol?
5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol has a molecular weight of 287.32 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-indol-3-ylidenemethyl]-2-phenyl-1H-imidazol-4-ol is sourced from PubChem (CID 135986108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).