1-anilinoimidazol-4-ol

C9H9N3O — CID 69238100

IUPAC1-anilinoimidazol-4-ol
SMILESOc1cn(Nc2ccccc2)cn1
InChIInChI=1S/C9H9N3O/c13-9-6-12(7-10-9)11-8-4-2-1-3-5-8/h1-7,11,13H
InChIKeyURJHOSUZQPNQMH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.46
Rot. Bonds2

About 1-anilinoimidazol-4-ol

1-anilinoimidazol-4-ol (PubChem CID 69238100) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-anilinoimidazol-4-ol.

Molecular Properties

Compound Name1-anilinoimidazol-4-ol
PubChem CID69238100
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-anilinoimidazol-4-ol
SMILESOc1cn(Nc2ccccc2)cn1
InChIInChI=1S/C9H9N3O/c13-9-6-12(7-10-9)11-8-4-2-1-3-5-8/h1-7,11,13H
InChIKeyURJHOSUZQPNQMH-UHFFFAOYSA-N
XLogP1.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-anilinoimidazol-4-ol?
The IUPAC name of 1-anilinoimidazol-4-ol (CID 69238100) is 1-anilinoimidazol-4-ol.
What is the SMILES notation for 1-anilinoimidazol-4-ol?
The canonical SMILES for 1-anilinoimidazol-4-ol is Oc1cn(Nc2ccccc2)cn1.
What is the InChIKey of 1-anilinoimidazol-4-ol?
The InChIKey is URJHOSUZQPNQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9-6-12(7-10-9)11-8-4-2-1-3-5-8/h1-7,11,13H.
What are the key properties of 1-anilinoimidazol-4-ol?
1-anilinoimidazol-4-ol has a molecular weight of 175.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinoimidazol-4-ol is sourced from PubChem (CID 69238100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).