6-imidazol-1-ylisoquinoline

C12H9N3 — CID 10845522

IUPAC6-imidazol-1-ylisoquinoline
SMILESc1cc2cc(-n3ccnc3)ccc2cn1
InChIInChI=1S/C12H9N3/c1-2-12(15-6-5-14-9-15)7-10-3-4-13-8-11(1)10/h1-9H
InChIKeyYACWDKFXWATANA-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About 6-imidazol-1-ylisoquinoline

6-imidazol-1-ylisoquinoline (PubChem CID 10845522) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-imidazol-1-ylisoquinoline.

Molecular Properties

Compound Name6-imidazol-1-ylisoquinoline
PubChem CID10845522
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name6-imidazol-1-ylisoquinoline
SMILESc1cc2cc(-n3ccnc3)ccc2cn1
InChIInChI=1S/C12H9N3/c1-2-12(15-6-5-14-9-15)7-10-3-4-13-8-11(1)10/h1-9H
InChIKeyYACWDKFXWATANA-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-ylisoquinoline?
The IUPAC name of 6-imidazol-1-ylisoquinoline (CID 10845522) is 6-imidazol-1-ylisoquinoline.
What is the SMILES notation for 6-imidazol-1-ylisoquinoline?
The canonical SMILES for 6-imidazol-1-ylisoquinoline is c1cc2cc(-n3ccnc3)ccc2cn1.
What is the InChIKey of 6-imidazol-1-ylisoquinoline?
The InChIKey is YACWDKFXWATANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-12(15-6-5-14-9-15)7-10-3-4-13-8-11(1)10/h1-9H.
What are the key properties of 6-imidazol-1-ylisoquinoline?
6-imidazol-1-ylisoquinoline has a molecular weight of 195.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-ylisoquinoline is sourced from PubChem (CID 10845522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).