1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole

C27H19FN2O — CID 156659698

IUPAC1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
SMILESCCn1c(-c2ccc3oc4cc(-c5cccc(F)c5)ccc4c3c2)nc2ccccc21
InChIInChI=1S/C27H19FN2O/c1-2-30-24-9-4-3-8-23(24)29-27(30)19-11-13-25-22(15-19)21-12-10-18(16-26(21)31-25)17-6-5-7-20(28)14-17/h3-16H,2H2,1H3
InChIKeyOKHDWRSBTKWZEL-UHFFFAOYSA-N
MW406.46 g/mol
LogP7.43
Rot. Bonds3

About 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole

1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole (PubChem CID 156659698) has the molecular formula C27H19FN2O and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
PubChem CID156659698
Molecular FormulaC27H19FN2O
Molecular Weight406.46 g/mol
Exact Mass406.15
IUPAC Name1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
SMILESCCn1c(-c2ccc3oc4cc(-c5cccc(F)c5)ccc4c3c2)nc2ccccc21
InChIInChI=1S/C27H19FN2O/c1-2-30-24-9-4-3-8-23(24)29-27(30)19-11-13-25-22(15-19)21-12-10-18(16-26(21)31-25)17-6-5-7-20(28)14-17/h3-16H,2H2,1H3
InChIKeyOKHDWRSBTKWZEL-UHFFFAOYSA-N
XLogP7.43
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(6,9,10-triphenylanthracen-2-yl)benzimidazole
CID 129257085
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 171812807
14-[4-(1-ethylbenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123636
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
The IUPAC name of 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole (CID 156659698) is 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole is CCn1c(-c2ccc3oc4cc(-c5cccc(F)c5)ccc4c3c2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
The InChIKey is OKHDWRSBTKWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O/c1-2-30-24-9-4-3-8-23(24)29-27(30)19-11-13-25-22(15-19)21-12-10-18(16-26(21)31-25)17-6-5-7-20(28)14-17/h3-16H,2H2,1H3.
What are the key properties of 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole?
1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole has a molecular weight of 406.46 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole is sourced from PubChem (CID 156659698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).