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

C27H21N3O — CID 156669508

IUPAC2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)n1c(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C27H21N3O/c1-17(2)30-24-14-7-6-13-23(24)28-26(30)21-12-8-11-19-20-15-16-22(18-9-4-3-5-10-18)29-27(20)31-25(19)21/h3-17H,1-2H3
InChIKeyPREMMJXTQDVPOB-UHFFFAOYSA-N
MW403.49 g/mol
LogP7.25
Rot. Bonds3

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

2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669508) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID156669508
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC Name2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)n1c(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C27H21N3O/c1-17(2)30-24-14-7-6-13-23(24)28-26(30)21-12-8-11-19-20-15-16-22(18-9-4-3-5-10-18)29-27(20)31-25(19)21/h3-17H,1-2H3
InChIKeyPREMMJXTQDVPOB-UHFFFAOYSA-N
XLogP7.25
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
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-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 129021971
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 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 156669508) is 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine is CC(C)n1c(-c2cccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21.
What is the InChIKey of 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is PREMMJXTQDVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O/c1-17(2)30-24-14-7-6-13-23(24)28-26(30)21-12-8-11-19-20-15-16-22(18-9-4-3-5-10-18)29-27(20)31-25(19)21/h3-17H,1-2H3.
What are the key properties of 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 403.49 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).