8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine

C26H19N3O — CID 156669661

IUPAC8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c2oc3ncccc3c12
InChIInChI=1S/C26H19N3O/c1-17-13-14-20(24-23(17)19-10-7-15-27-26(19)30-24)25-28-21-11-5-6-12-22(21)29(25)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3
InChIKeyYHZFOYHXXYPGTI-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.35
Rot. Bonds3

About 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine

8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669661) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156669661
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c2oc3ncccc3c12
InChIInChI=1S/C26H19N3O/c1-17-13-14-20(24-23(17)19-10-7-15-27-26(19)30-24)25-28-21-11-5-6-12-22(21)29(25)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3
InChIKeyYHZFOYHXXYPGTI-UHFFFAOYSA-N
XLogP6.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669050
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 156667552
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
8-(1-benzylbenzimidazol-2-yl)-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669314
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
9-methyl-6-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 156668456
2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole
CID 4303515
8-(1,5-dimethylpyridin-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 153237527
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine (CID 156669661) is 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c2oc3ncccc3c12.
What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is YHZFOYHXXYPGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-17-13-14-20(24-23(17)19-10-7-15-27-26(19)30-24)25-28-21-11-5-6-12-22(21)29(25)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3.
What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 389.46 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).