8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline

C22H17N3O2 — CID 146168129

IUPAC8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline
SMILESCOc1ccc(OC)c2c1nc1c3ccccc3cc(-c3cccnc3)n12
InChIInChI=1S/C22H17N3O2/c1-26-18-9-10-19(27-2)21-20(18)24-22-16-8-4-3-6-14(16)12-17(25(21)22)15-7-5-11-23-13-15/h3-13H,1-2H3
InChIKeyHCSIWCIRCDRIAE-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.72
Rot. Bonds3

About 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline

8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline (PubChem CID 146168129) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline
PubChem CID146168129
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline
SMILESCOc1ccc(OC)c2c1nc1c3ccccc3cc(-c3cccnc3)n12
InChIInChI=1S/C22H17N3O2/c1-26-18-9-10-19(27-2)21-20(18)24-22-16-8-4-3-6-14(16)12-17(25(21)22)15-7-5-11-23-13-15/h3-13H,1-2H3
InChIKeyHCSIWCIRCDRIAE-UHFFFAOYSA-N
XLogP4.72
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-8-methoxy-2-pyridin-3-ylquinoline
CID 70078801
5-bromo-8-methoxy-2-pyridin-3-ylquinoline
CID 18979081
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
1-(2-methoxyphenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
CID 118720466
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2-methoxyphenyl)pyridine
CID 4133297
1-hydroxy-2-pyridin-3-ylindole
CID 172853768
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 86808484
3-(2,6-dimethoxy-4-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050278
6-methoxy-5-methyl-2-pyridin-3-yl-1H-indole
CID 69096952

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline (CID 146168129) is 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline is COc1ccc(OC)c2c1nc1c3ccccc3cc(-c3cccnc3)n12.
What is the InChIKey of 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline?
The InChIKey is HCSIWCIRCDRIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-26-18-9-10-19(27-2)21-20(18)24-22-16-8-4-3-6-14(16)12-17(25(21)22)15-7-5-11-23-13-15/h3-13H,1-2H3.
What are the key properties of 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline?
8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline has a molecular weight of 355.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethoxy-6-pyridin-3-ylbenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 146168129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).