2-dibenzothiophen-4-yl-1H-benzimidazole

C19H12N2S — CID 139436159

IUPAC2-dibenzothiophen-4-yl-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cccc4c3sc3ccccc34)nc2c1
InChIInChI=1S/C19H12N2S/c1-4-11-17-12(6-1)13-7-5-8-14(18(13)22-17)19-20-15-9-2-3-10-16(15)21-19/h1-11H,(H,20,21)
InChIKeyYIQKOCFQSFMOMZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP5.60
Rot. Bonds1

About 2-dibenzothiophen-4-yl-1H-benzimidazole

2-dibenzothiophen-4-yl-1H-benzimidazole (PubChem CID 139436159) has the molecular formula C19H12N2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-1H-benzimidazole
PubChem CID139436159
Molecular FormulaC19H12N2S
Molecular Weight300.39 g/mol
Exact Mass300.07
IUPAC Name2-dibenzothiophen-4-yl-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cccc4c3sc3ccccc34)nc2c1
InChIInChI=1S/C19H12N2S/c1-4-11-17-12(6-1)13-7-5-8-14(18(13)22-17)19-20-15-9-2-3-10-16(15)21-19/h1-11H,(H,20,21)
InChIKeyYIQKOCFQSFMOMZ-UHFFFAOYSA-N
XLogP5.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole
CID 154619108
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-1H-benzimidazole
CID 148507759
5-dibenzothiophen-4-yl-3-phenyl-1H-1,2,4-triazole
CID 118508901
5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
CID 147004668
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
CID 20700346
CID 20700346
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-1H-benzimidazole?
The IUPAC name of 2-dibenzothiophen-4-yl-1H-benzimidazole (CID 139436159) is 2-dibenzothiophen-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-1H-benzimidazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-1H-benzimidazole is c1ccc2[nH]c(-c3cccc4c3sc3ccccc34)nc2c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-1H-benzimidazole?
The InChIKey is YIQKOCFQSFMOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2S/c1-4-11-17-12(6-1)13-7-5-8-14(18(13)22-17)19-20-15-9-2-3-10-16(15)21-19/h1-11H,(H,20,21).
What are the key properties of 2-dibenzothiophen-4-yl-1H-benzimidazole?
2-dibenzothiophen-4-yl-1H-benzimidazole has a molecular weight of 300.39 g/mol, XLogP of 5.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-1H-benzimidazole is sourced from PubChem (CID 139436159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).