6-(1H-imidazol-5-yl)-1H-indol-2-ol

C11H9N3O — CID 57146621

IUPAC6-(1H-imidazol-5-yl)-1H-indol-2-ol
SMILESOc1cc2ccc(-c3cnc[nH]3)cc2[nH]1
InChIInChI=1S/C11H9N3O/c15-11-4-8-2-1-7(3-9(8)14-11)10-5-12-6-13-10/h1-6,14-15H,(H,12,13)
InChIKeyKYRWAKQSSJZDDF-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.26
Rot. Bonds1

About 6-(1H-imidazol-5-yl)-1H-indol-2-ol

6-(1H-imidazol-5-yl)-1H-indol-2-ol (PubChem CID 57146621) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-(1H-imidazol-5-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name6-(1H-imidazol-5-yl)-1H-indol-2-ol
PubChem CID57146621
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name6-(1H-imidazol-5-yl)-1H-indol-2-ol
SMILESOc1cc2ccc(-c3cnc[nH]3)cc2[nH]1
InChIInChI=1S/C11H9N3O/c15-11-4-8-2-1-7(3-9(8)14-11)10-5-12-6-13-10/h1-6,14-15H,(H,12,13)
InChIKeyKYRWAKQSSJZDDF-UHFFFAOYSA-N
XLogP2.26
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-yl)-1H-indol-2-ol?
The IUPAC name of 6-(1H-imidazol-5-yl)-1H-indol-2-ol (CID 57146621) is 6-(1H-imidazol-5-yl)-1H-indol-2-ol.
What is the SMILES notation for 6-(1H-imidazol-5-yl)-1H-indol-2-ol?
The canonical SMILES for 6-(1H-imidazol-5-yl)-1H-indol-2-ol is Oc1cc2ccc(-c3cnc[nH]3)cc2[nH]1.
What is the InChIKey of 6-(1H-imidazol-5-yl)-1H-indol-2-ol?
The InChIKey is KYRWAKQSSJZDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-4-8-2-1-7(3-9(8)14-11)10-5-12-6-13-10/h1-6,14-15H,(H,12,13).
What are the key properties of 6-(1H-imidazol-5-yl)-1H-indol-2-ol?
6-(1H-imidazol-5-yl)-1H-indol-2-ol has a molecular weight of 199.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-yl)-1H-indol-2-ol is sourced from PubChem (CID 57146621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).