2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium

C25H18N3O+ — CID 176644026

IUPAC2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
SMILESC[n+]1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccccc3)cccc12
InChIInChI=1S/C25H18N3O/c1-27-15-14-18-19-10-7-11-20(24(19)29-23(18)16-27)25-26-21-12-5-6-13-22(21)28(25)17-8-3-2-4-9-17/h2-16H,1H3/q+1
InChIKeySMQLAZLHZYOYAM-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.42
Rot. Bonds2

About 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium

2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium (PubChem CID 176644026) has the molecular formula C25H18N3O+ and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium.

Molecular Properties

Compound Name2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
PubChem CID176644026
Molecular FormulaC25H18N3O+
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
SMILESC[n+]1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccccc3)cccc12
InChIInChI=1S/C25H18N3O/c1-27-15-14-18-19-10-7-11-20(24(19)29-23(18)16-27)25-26-21-12-5-6-13-22(21)28(25)17-8-3-2-4-9-17/h2-16H,1H3/q+1
InChIKeySMQLAZLHZYOYAM-UHFFFAOYSA-N
XLogP5.42
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium 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-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
CID 146513867
[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
CID 168730895
2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 58309599
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100161
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
2,3-diphenyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]benzimidazole
CID 168844888
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium?
The IUPAC name of 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium (CID 176644026) is 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium.
What is the SMILES notation for 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium?
The canonical SMILES for 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium is C[n+]1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccccc3)cccc12.
What is the InChIKey of 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium?
The InChIKey is SMQLAZLHZYOYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N3O/c1-27-15-14-18-19-10-7-11-20(24(19)29-23(18)16-27)25-26-21-12-5-6-13-22(21)28(25)17-8-3-2-4-9-17/h2-16H,1H3/q+1.
What are the key properties of 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium?
2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium has a molecular weight of 376.44 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium is sourced from PubChem (CID 176644026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).