imidazo[4,5-b]indole

C9H5N3 — CID 68843997

IUPACimidazo[4,5-b]indole
SMILESC1=NC2=c3ccccc3=NC2=N1
InChIInChI=1S/C9H5N3/c1-2-4-7-6(3-1)8-9(12-7)11-5-10-8/h1-5H
InChIKeyRUVQMNNPUOXKIH-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.13
Rot. Bonds

About imidazo[4,5-b]indole

imidazo[4,5-b]indole (PubChem CID 68843997) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is imidazo[4,5-b]indole.

Molecular Properties

Compound Nameimidazo[4,5-b]indole
PubChem CID68843997
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Nameimidazo[4,5-b]indole
SMILESC1=NC2=c3ccccc3=NC2=N1
InChIInChI=1S/C9H5N3/c1-2-4-7-6(3-1)8-9(12-7)11-5-10-8/h1-5H
InChIKeyRUVQMNNPUOXKIH-UHFFFAOYSA-N
XLogP-0.13
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-b]indole?
The IUPAC name of imidazo[4,5-b]indole (CID 68843997) is imidazo[4,5-b]indole.
What is the SMILES notation for imidazo[4,5-b]indole?
The canonical SMILES for imidazo[4,5-b]indole is C1=NC2=c3ccccc3=NC2=N1.
What is the InChIKey of imidazo[4,5-b]indole?
The InChIKey is RUVQMNNPUOXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c1-2-4-7-6(3-1)8-9(12-7)11-5-10-8/h1-5H.
What are the key properties of imidazo[4,5-b]indole?
imidazo[4,5-b]indole has a molecular weight of 155.16 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-b]indole is sourced from PubChem (CID 68843997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).