2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole

C21H14N2S — CID 134337994

IUPAC2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cc4ccccc4s3)nc3ccccc32)cc1
InChIInChI=1S/C21H14N2S/c1-2-9-16(10-3-1)23-18-12-6-5-11-17(18)22-21(23)20-14-15-8-4-7-13-19(15)24-20/h1-14H
InChIKeyYGXDACACIDZDBE-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.91
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole

2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole (PubChem CID 134337994) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole
PubChem CID134337994
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cc4ccccc4s3)nc3ccccc32)cc1
InChIInChI=1S/C21H14N2S/c1-2-9-16(10-3-1)23-18-12-6-5-11-17(18)22-21(23)20-14-15-8-4-7-13-19(15)24-20/h1-14H
InChIKeyYGXDACACIDZDBE-UHFFFAOYSA-N
XLogP5.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenyl-2-(5-phenylthiophen-2-yl)benzimidazole
CID 23527743
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
6-(1-benzothiophen-2-yl)indolo[1,2-a]quinoxaline
CID 162406863
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-[4-[4,8-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-f][1]benzothiol-6-yl]phenyl]-1-phenylbenzimidazole
CID 134595234
1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole
CID 146262600
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
dibenzothiophene;ethane;tris(2-methyl-1-phenylbenzimidazole);phenanthrene
CID 157228707

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole (CID 134337994) is 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole is c1ccc(-n2c(-c3cc4ccccc4s3)nc3ccccc32)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole?
The InChIKey is YGXDACACIDZDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-9-16(10-3-1)23-18-12-6-5-11-17(18)22-21(23)20-14-15-8-4-7-13-19(15)24-20/h1-14H.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole?
2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole has a molecular weight of 326.42 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole is sourced from PubChem (CID 134337994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).