2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole

C47H27N5OS2 — CID 141050959

IUPAC2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3ccc4nc(-c5nc6ccccc6s5)c(-c5nc6ccccc6[nH]5)c(-c5cc6ccccc6s5)c4c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C47H27N5OS2/c1-4-14-30-26(11-1)23-35(48-30)29-21-22-34-42(41(29)37-24-27-12-2-8-18-36(27)53-37)43(40-25-28-13-3-9-19-38(28)54-40)44(46-50-31-15-5-6-16-32(31)51-46)45(49-34)47-52-33-17-7-10-20-39(33)55-47/h1-25,48H,(H,50,51)
InChIKeyJSVYFVZKMDDSNW-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.50
Rot. Bonds5

About 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole

2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole (PubChem CID 141050959) has the molecular formula C47H27N5OS2 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
PubChem CID141050959
Molecular FormulaC47H27N5OS2
Molecular Weight741.90 g/mol
Exact Mass741.17
IUPAC Name2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3ccc4nc(-c5nc6ccccc6s5)c(-c5nc6ccccc6[nH]5)c(-c5cc6ccccc6s5)c4c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C47H27N5OS2/c1-4-14-30-26(11-1)23-35(48-30)29-21-22-34-42(41(29)37-24-27-12-2-8-18-36(27)53-37)43(40-25-28-13-3-9-19-38(28)54-40)44(46-50-31-15-5-6-16-32(31)51-46)45(49-34)47-52-33-17-7-10-20-39(33)55-47/h1-25,48H,(H,50,51)
InChIKeyJSVYFVZKMDDSNW-UHFFFAOYSA-N
XLogP13.50
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-1,3-benzothiazole
CID 141189608
6-(1H-benzimidazol-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(furan-2-yl)-3,5-bis(1H-indol-2-yl)chromen-2-one
CID 141056962
2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole
CID 91160562
2-[5-(1-benzofuran-2-yl)-6-(2H-isoindol-1-yl)-4-naphthalen-1-ylsulfanyl-1H-indazol-3-yl]-1,3-benzothiazole
CID 141196709
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275
2-[7-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-5-(1H-pyrrol-2-yl)-3-quinazolin-2-yl-2-benzofuran-1-yl]-1,3-benzothiazole
CID 141340701
3-(1-benzofuran-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135636418
1-[6-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-7-quinolin-2-yl-2-benzofuran-1-yl]isoquinoline
CID 141080144
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
CID 141179419
5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane
CID 143851118

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole (CID 141050959) is 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole is c1ccc2[nH]c(-c3ccc4nc(-c5nc6ccccc6s5)c(-c5nc6ccccc6[nH]5)c(-c5cc6ccccc6s5)c4c3-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole?
The InChIKey is JSVYFVZKMDDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5OS2/c1-4-14-30-26(11-1)23-35(48-30)29-21-22-34-42(41(29)37-24-27-12-2-8-18-36(27)53-37)43(40-25-28-13-3-9-19-38(28)54-40)44(46-50-31-15-5-6-16-32(31)51-46)45(49-34)47-52-33-17-7-10-20-39(33)55-47/h1-25,48H,(H,50,51).
What are the key properties of 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole?
2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole has a molecular weight of 741.90 g/mol, XLogP of 13.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 141050959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).