5,6-diphenylbenzimidazolo[2,1-a]isoquinoline

C27H18N2 — CID 58517547

IUPAC5,6-diphenylbenzimidazolo[2,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccccc3)n3c4ccccc4nc3c3ccccc23)cc1
InChIInChI=1S/C27H18N2/c1-3-11-19(12-4-1)25-21-15-7-8-16-22(21)27-28-23-17-9-10-18-24(23)29(27)26(25)20-13-5-2-6-14-20/h1-18H
InChIKeyKZMQYBIUVIAWHC-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.97
Rot. Bonds2

About 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline

5,6-diphenylbenzimidazolo[2,1-a]isoquinoline (PubChem CID 58517547) has the molecular formula C27H18N2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5,6-diphenylbenzimidazolo[2,1-a]isoquinoline
PubChem CID58517547
Molecular FormulaC27H18N2
Molecular Weight370.46 g/mol
Exact Mass370.15
IUPAC Name5,6-diphenylbenzimidazolo[2,1-a]isoquinoline
SMILESc1ccc(-c2c(-c3ccccc3)n3c4ccccc4nc3c3ccccc23)cc1
InChIInChI=1S/C27H18N2/c1-3-11-19(12-4-1)25-21-15-7-8-16-22(21)27-28-23-17-9-10-18-24(23)29(27)26(25)20-13-5-2-6-14-20/h1-18H
InChIKeyKZMQYBIUVIAWHC-UHFFFAOYSA-N
XLogP6.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline (CID 58517547) is 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline is c1ccc(-c2c(-c3ccccc3)n3c4ccccc4nc3c3ccccc23)cc1.
What is the InChIKey of 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline?
The InChIKey is KZMQYBIUVIAWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2/c1-3-11-19(12-4-1)25-21-15-7-8-16-22(21)27-28-23-17-9-10-18-24(23)29(27)26(25)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline?
5,6-diphenylbenzimidazolo[2,1-a]isoquinoline has a molecular weight of 370.46 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenylbenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 58517547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).