1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole

C32H19FN2OS — CID 156660303

IUPAC1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2sc3cc(F)ccc3c12
InChIInChI=1S/C32H19FN2OS/c1-18-13-15-23(31-29(18)22-16-14-19(33)17-28(22)37-31)32-34-24-9-3-4-10-25(24)35(32)26-11-6-8-21-20-7-2-5-12-27(20)36-30(21)26/h2-17H,1H3
InChIKeyHWJYEFOMOWMZGE-UHFFFAOYSA-N
MW498.58 g/mol
LogP9.41
Rot. Bonds2

About 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole

1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole (PubChem CID 156660303) has the molecular formula C32H19FN2OS and a molecular weight of 498.58 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole
PubChem CID156660303
Molecular FormulaC32H19FN2OS
Molecular Weight498.58 g/mol
Exact Mass498.12
IUPAC Name1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2sc3cc(F)ccc3c12
InChIInChI=1S/C32H19FN2OS/c1-18-13-15-23(31-29(18)22-16-14-19(33)17-28(22)37-31)32-34-24-9-3-4-10-25(24)35(32)26-11-6-8-21-20-7-2-5-12-27(20)36-30(21)26/h2-17H,1H3
InChIKeyHWJYEFOMOWMZGE-UHFFFAOYSA-N
XLogP9.41
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622
11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158563
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158582
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 155159490
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159532
7-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159533
14-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159534
27-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160005
18-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160006
5-Dibenzothiophen-2-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160010
2-Dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160015
6-Dibenzothiophen-2-yl-12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5-phenylindolo[3,2-c]carbazole
CID 155160158

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole?
The IUPAC name of 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole (CID 156660303) is 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole?
The canonical SMILES for 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2sc3cc(F)ccc3c12.
What is the InChIKey of 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole?
The InChIKey is HWJYEFOMOWMZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN2OS/c1-18-13-15-23(31-29(18)22-16-14-19(33)17-28(22)37-31)32-34-24-9-3-4-10-25(24)35(32)26-11-6-8-21-20-7-2-5-12-27(20)36-30(21)26/h2-17H,1H3.
What are the key properties of 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole?
1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole has a molecular weight of 498.58 g/mol, XLogP of 9.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole is sourced from PubChem (CID 156660303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).