8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine

C31H20FN3O — CID 156667899

IUPAC8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine
SMILESFc1ccc(-c2nccc3c2oc2c(-c4nc5ccccc5n4Cc4ccccc4)cccc23)cc1
InChIInChI=1S/C31H20FN3O/c32-22-15-13-21(14-16-22)28-30-24(17-18-33-28)23-9-6-10-25(29(23)36-30)31-34-26-11-4-5-12-27(26)35(31)19-20-7-2-1-3-8-20/h1-18H,19H2
InChIKeyZRINLJDOURAVLN-UHFFFAOYSA-N
MW469.52 g/mol
LogP7.85
Rot. Bonds4

About 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine

8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 156667899) has the molecular formula C31H20FN3O and a molecular weight of 469.52 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine
PubChem CID156667899
Molecular FormulaC31H20FN3O
Molecular Weight469.52 g/mol
Exact Mass469.16
IUPAC Name8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine
SMILESFc1ccc(-c2nccc3c2oc2c(-c4nc5ccccc5n4Cc4ccccc4)cccc23)cc1
InChIInChI=1S/C31H20FN3O/c32-22-15-13-21(14-16-22)28-30-24(17-18-33-28)23-9-6-10-25(29(23)36-30)31-34-26-11-4-5-12-27(26)35(31)19-20-7-2-1-3-8-20/h1-18H,19H2
InChIKeyZRINLJDOURAVLN-UHFFFAOYSA-N
XLogP7.85
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
CID 25208249
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
1-(2-Benzofuranyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54580415
2-Benzo[b]furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70691516
(4-(3'-Methoxy-3,4'-bipyridin-2-yloxy)phenyl)(1-methyl-1h-benzo[d]imidazol-2-yl)methanone
CID 46214213
2-ethyl-N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603227
N-(3-(1H-imidazol-1-yl)propyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603365
4-(4-Benzofuran-2-yl-5-pyridin-4-yl-1H-imidazol-2-yl)-3,5-difluoro-pyridine-2,6-diamine
CID 44306733
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
3-Benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
CID 51359022

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine (CID 156667899) is 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine is Fc1ccc(-c2nccc3c2oc2c(-c4nc5ccccc5n4Cc4ccccc4)cccc23)cc1.
What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is ZRINLJDOURAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN3O/c32-22-15-13-21(14-16-22)28-30-24(17-18-33-28)23-9-6-10-25(29(23)36-30)31-34-26-11-4-5-12-27(26)35(31)19-20-7-2-1-3-8-20/h1-18H,19H2.
What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
8-(1-benzylbenzimidazol-2-yl)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 469.52 g/mol, XLogP of 7.85, 4 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)-1-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 156667899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).