2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine

C28H18N4O — CID 164825035

IUPAC2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc4c5ccccc5cnc4n3-c3ccccc3)cccc12
InChIInChI=1S/C28H18N4O/c1-17-14-15-22-21-12-7-13-23(25(21)33-28(22)30-17)26-31-24-20-11-6-5-8-18(20)16-29-27(24)32(26)19-9-3-2-4-10-19/h2-16H,1H3
InChIKeyORIHRNJFWNAGFQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.84
Rot. Bonds2

About 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine

2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 164825035) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID164825035
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc4c5ccccc5cnc4n3-c3ccccc3)cccc12
InChIInChI=1S/C28H18N4O/c1-17-14-15-22-21-12-7-13-23(25(21)33-28(22)30-17)26-31-24-20-11-6-5-8-18(20)16-29-27(24)32(26)19-9-3-2-4-10-19/h2-16H,1H3
InChIKeyORIHRNJFWNAGFQ-UHFFFAOYSA-N
XLogP6.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine 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

2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline
CID 164825395
2-methyl-8-(1-phenylimidazo[4,5-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825326
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
CID 164824655
2-methyl-8-(7-phenylpurin-8-yl)-[1]benzofuro[2,3-b]pyridine
CID 164827351
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667503
8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 156667552
2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668442
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 164825035) is 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3nc4c5ccccc5cnc4n3-c3ccccc3)cccc12.
What is the InChIKey of 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ORIHRNJFWNAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c1-17-14-15-22-21-12-7-13-23(25(21)33-28(22)30-17)26-31-24-20-11-6-5-8-18(20)16-29-27(24)32(26)19-9-3-2-4-10-19/h2-16H,1H3.
What are the key properties of 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 426.48 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 164825035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).