2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole

C29H17FN2O — CID 156658241

IUPAC2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole
SMILESFc1cccc2oc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)cccc3c12
InChIInChI=1S/C29H17FN2O/c30-22-13-7-17-26-27(22)20-11-6-12-21(28(20)33-26)29-31-23-14-3-4-15-25(23)32(29)24-16-5-9-18-8-1-2-10-19(18)24/h1-17H
InChIKeyBOQVODSGNLCCAM-UHFFFAOYSA-N
MW428.47 g/mol
LogP7.88
Rot. Bonds2

About 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole

2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole (PubChem CID 156658241) has the molecular formula C29H17FN2O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole.

Molecular Properties

Compound Name2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole
PubChem CID156658241
Molecular FormulaC29H17FN2O
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Name2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole
SMILESFc1cccc2oc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)cccc3c12
InChIInChI=1S/C29H17FN2O/c30-22-13-7-17-26-27(22)20-11-6-12-21(28(20)33-26)29-31-23-14-3-4-15-25(23)32(29)24-16-5-9-18-8-1-2-10-19(18)24/h1-17H
InChIKeyBOQVODSGNLCCAM-UHFFFAOYSA-N
XLogP7.88
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-fluorodibenzofuran-4-yl)-1-(2-phenylphenyl)benzimidazole
CID 156659191
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
CID 168730895
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
2-dibenzofuran-4-yl-1-(9H-fluoren-1-yl)benzimidazole
CID 167355258
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 156657603
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
1-dibenzofuran-4-yl-2-ethylbenzimidazole
CID 118020061
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole?
The IUPAC name of 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole (CID 156658241) is 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole.
What is the SMILES notation for 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole?
The canonical SMILES for 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole is Fc1cccc2oc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)cccc3c12.
What is the InChIKey of 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole?
The InChIKey is BOQVODSGNLCCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17FN2O/c30-22-13-7-17-26-27(22)20-11-6-12-21(28(20)33-26)29-31-23-14-3-4-15-25(23)32(29)24-16-5-9-18-8-1-2-10-19(18)24/h1-17H.
What are the key properties of 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole?
2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole has a molecular weight of 428.47 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole is sourced from PubChem (CID 156658241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).