1-dibenzofuran-4-yl-2-ethylbenzimidazole

C21H16N2O — CID 118020061

IUPAC1-dibenzofuran-4-yl-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C21H16N2O/c1-2-20-22-16-10-4-5-11-17(16)23(20)18-12-7-9-15-14-8-3-6-13-19(14)24-21(15)18/h3-13H,2H2,1H3
InChIKeyXPJZCEIRFFTPQX-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.49
Rot. Bonds2

About 1-dibenzofuran-4-yl-2-ethylbenzimidazole

1-dibenzofuran-4-yl-2-ethylbenzimidazole (PubChem CID 118020061) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-2-ethylbenzimidazole
PubChem CID118020061
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-dibenzofuran-4-yl-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C21H16N2O/c1-2-20-22-16-10-4-5-11-17(16)23(20)18-12-7-9-15-14-8-3-6-13-19(14)24-21(15)18/h3-13H,2H2,1H3
InChIKeyXPJZCEIRFFTPQX-UHFFFAOYSA-N
XLogP5.49
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
CID 168730895
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 156657603
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
2-ethyl-1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235869
1-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)naphthalen-1-yl]-2-ethylbenzimidazole
CID 170236605
2-dibenzofuran-4-yl-1-(9H-fluoren-1-yl)benzimidazole
CID 167355258
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole
CID 58309516
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
9-dibenzofuran-4-yl-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501186

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-2-ethylbenzimidazole?
The IUPAC name of 1-dibenzofuran-4-yl-2-ethylbenzimidazole (CID 118020061) is 1-dibenzofuran-4-yl-2-ethylbenzimidazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-2-ethylbenzimidazole?
The canonical SMILES for 1-dibenzofuran-4-yl-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-4-yl-2-ethylbenzimidazole?
The InChIKey is XPJZCEIRFFTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-20-22-16-10-4-5-11-17(16)23(20)18-12-7-9-15-14-8-3-6-13-19(14)24-21(15)18/h3-13H,2H2,1H3.
What are the key properties of 1-dibenzofuran-4-yl-2-ethylbenzimidazole?
1-dibenzofuran-4-yl-2-ethylbenzimidazole has a molecular weight of 312.37 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-2-ethylbenzimidazole is sourced from PubChem (CID 118020061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).