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

C26H19N3O — CID 156667552

IUPAC8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)cccc12
InChIInChI=1S/C26H19N3O/c1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3
InChIKeyWPIADBBXZWDCOR-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.35
Rot. Bonds3

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

8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667552) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156667552
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)cccc12
InChIInChI=1S/C26H19N3O/c1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3
InChIKeyWPIADBBXZWDCOR-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

1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661
8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669050
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 156671268
2-methyl-8-(1-phenylimidazo[4,5-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825326
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 129021971
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 156667552) is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)cccc12.
What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is WPIADBBXZWDCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)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)-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-(1-benzylbenzimidazol-2-yl)-2-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)-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).