8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine

C25H17N3O — CID 156670394

IUPAC8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCn1c(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C25H17N3O/c1-28-22-13-6-5-12-21(22)26-24(28)19-11-7-10-17-18-14-15-20(16-8-3-2-4-9-16)27-25(18)29-23(17)19/h2-15H,1H3
InChIKeyCFLIEPLJPAKSIC-UHFFFAOYSA-N
MW375.43 g/mol
LogP6.20
Rot. Bonds2

About 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine

8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156670394) has the molecular formula C25H17N3O and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156670394
Molecular FormulaC25H17N3O
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC Name8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCn1c(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C25H17N3O/c1-28-22-13-6-5-12-21(22)26-24(28)19-11-7-10-17-18-14-15-20(16-8-3-2-4-9-16)27-25(18)29-23(17)19/h2-15H,1H3
InChIKeyCFLIEPLJPAKSIC-UHFFFAOYSA-N
XLogP6.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
4-[8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051864
4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051825
8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 156671268
8-[1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]-2-(5-phenyl-1,3-oxazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 171051808
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
8-[1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(3,5-ditert-butylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 176646015
8-(1-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 156667552

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine (CID 156670394) is 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine is Cn1c(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21.
What is the InChIKey of 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CFLIEPLJPAKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O/c1-28-22-13-6-5-12-21(22)26-24(28)19-11-7-10-17-18-14-15-20(16-8-3-2-4-9-16)27-25(18)29-23(17)19/h2-15H,1H3.
What are the key properties of 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine?
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 375.43 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156670394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).