6-phenylbenzimidazolo[2,1-a]isoquinoline

C21H14N2 — CID 10541825

IUPAC6-phenylbenzimidazolo[2,1-a]isoquinoline
SMILESc1ccc(-c2cc3ccccc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C21H14N2/c1-2-8-15(9-3-1)20-14-16-10-4-5-11-17(16)21-22-18-12-6-7-13-19(18)23(20)21/h1-14H
InChIKeyHNOKOSGPBNJJIZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.31
Rot. Bonds1

About 6-phenylbenzimidazolo[2,1-a]isoquinoline

6-phenylbenzimidazolo[2,1-a]isoquinoline (PubChem CID 10541825) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-phenylbenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-phenylbenzimidazolo[2,1-a]isoquinoline
PubChem CID10541825
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name6-phenylbenzimidazolo[2,1-a]isoquinoline
SMILESc1ccc(-c2cc3ccccc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C21H14N2/c1-2-8-15(9-3-1)20-14-16-10-4-5-11-17(16)21-22-18-12-6-7-13-19(18)23(20)21/h1-14H
InChIKeyHNOKOSGPBNJJIZ-UHFFFAOYSA-N
XLogP5.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenylbenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 6-phenylbenzimidazolo[2,1-a]isoquinoline (CID 10541825) is 6-phenylbenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 6-phenylbenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 6-phenylbenzimidazolo[2,1-a]isoquinoline is c1ccc(-c2cc3ccccc3c3nc4ccccc4n23)cc1.
What is the InChIKey of 6-phenylbenzimidazolo[2,1-a]isoquinoline?
The InChIKey is HNOKOSGPBNJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-8-15(9-3-1)20-14-16-10-4-5-11-17(16)21-22-18-12-6-7-13-19(18)23(20)21/h1-14H.
What are the key properties of 6-phenylbenzimidazolo[2,1-a]isoquinoline?
6-phenylbenzimidazolo[2,1-a]isoquinoline has a molecular weight of 294.36 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylbenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 10541825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).