8,9-dimethylbenzimidazolo[2,1-a]isoquinoline

C34H28N4 — CID 139205223

IUPAC8,9-dimethylbenzimidazolo[2,1-a]isoquinoline
SMILESCc1ccc2nc3c4ccccc4ccn3c2c1C.Cc1ccc2nc3c4ccccc4ccn3c2c1C
InChIInChI=1S/2C17H14N2/c2*1-11-7-8-15-16(12(11)2)19-10-9-13-5-3-4-6-14(13)17(19)18-15/h2*3-10H,1-2H3
InChIKeyPVAGIKJKUADCBX-UHFFFAOYSA-N
MW492.63 g/mol
LogP8.52
Rot. Bonds

About 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline

8,9-dimethylbenzimidazolo[2,1-a]isoquinoline (PubChem CID 139205223) has the molecular formula C34H28N4 and a molecular weight of 492.63 g/mol. Its IUPAC name is 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethylbenzimidazolo[2,1-a]isoquinoline
PubChem CID139205223
Molecular FormulaC34H28N4
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC Name8,9-dimethylbenzimidazolo[2,1-a]isoquinoline
SMILESCc1ccc2nc3c4ccccc4ccn3c2c1C.Cc1ccc2nc3c4ccccc4ccn3c2c1C
InChIInChI=1S/2C17H14N2/c2*1-11-7-8-15-16(12(11)2)19-10-9-13-5-3-4-6-14(13)17(19)18-15/h2*3-10H,1-2H3
InChIKeyPVAGIKJKUADCBX-UHFFFAOYSA-N
XLogP8.52
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline (CID 139205223) is 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline is Cc1ccc2nc3c4ccccc4ccn3c2c1C.Cc1ccc2nc3c4ccccc4ccn3c2c1C.
What is the InChIKey of 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline?
The InChIKey is PVAGIKJKUADCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N2/c2*1-11-7-8-15-16(12(11)2)19-10-9-13-5-3-4-6-14(13)17(19)18-15/h2*3-10H,1-2H3.
What are the key properties of 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline?
8,9-dimethylbenzimidazolo[2,1-a]isoquinoline has a molecular weight of 492.63 g/mol, XLogP of 8.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethylbenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 139205223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).