7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole

C44H26N8O2S3 — CID 141309965

IUPAC7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole
SMILESc1cnc(S2(c3ncc[nH]3)C(c3nccs3)=Nc3c(-c4cc5ccccc5s4)c(-c4cc5ccccc5o4)c(-c4ccco4)c(-c4nc5ccccc5[nH]4)c32)nc1
InChIInChI=1S/C44H26N8O2S3/c1-5-13-29-25(9-1)23-31(54-29)35-34(30-14-7-21-53-30)37(40-50-27-11-3-4-12-28(27)51-40)39-38(36(35)33-24-26-10-2-6-15-32(26)56-33)52-42(41-45-20-22-55-41)57(39,44-48-18-19-49-44)43-46-16-8-17-47-43/h1-24H,(H,48,49)(H,50,51)
InChIKeyCILYJOILAVIJTF-UHFFFAOYSA-N
MW794.95 g/mol
LogP12.13
Rot. Bonds7

About 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole

7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole (PubChem CID 141309965) has the molecular formula C44H26N8O2S3 and a molecular weight of 794.95 g/mol. Its IUPAC name is 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole
PubChem CID141309965
Molecular FormulaC44H26N8O2S3
Molecular Weight794.95 g/mol
Exact Mass794.13
IUPAC Name7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole
SMILESc1cnc(S2(c3ncc[nH]3)C(c3nccs3)=Nc3c(-c4cc5ccccc5s4)c(-c4cc5ccccc5o4)c(-c4ccco4)c(-c4nc5ccccc5[nH]4)c32)nc1
InChIInChI=1S/C44H26N8O2S3/c1-5-13-29-25(9-1)23-31(54-29)35-34(30-14-7-21-53-30)37(40-50-27-11-3-4-12-28(27)51-40)39-38(36(35)33-24-26-10-2-6-15-32(26)56-33)52-42(41-45-20-22-55-41)57(39,44-48-18-19-49-44)43-46-16-8-17-47-43/h1-24H,(H,48,49)(H,50,51)
InChIKeyCILYJOILAVIJTF-UHFFFAOYSA-N
XLogP12.13
TPSA134.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.95
LogP ≤ 512.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole with MolForge

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Related Compounds

2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
14-[9-[4-Dibenzofuran-1-yl-9-phenyl-6-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)pyrimido[4,5-b]indol-2-yl]dibenzofuran-4-yl]-24-(5-phenylpyrimido[5,4-b]indol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene
CID 132075485
5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
CID 140969703
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole
CID 140989710
4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole
CID 140998691
2-[3-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-5-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)phenyl]-1,3-benzothiazole
CID 141002671
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole
CID 141018503
6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline
CID 141037706
6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole
CID 141039510
1-[2-(1H-benzimidazol-2-yl)-4-(1-benzothiophen-2-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)phenyl]indazole
CID 141041363

Frequently Asked Questions

What is the IUPAC name of 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
The IUPAC name of 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole (CID 141309965) is 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole is c1cnc(S2(c3ncc[nH]3)C(c3nccs3)=Nc3c(-c4cc5ccccc5s4)c(-c4cc5ccccc5o4)c(-c4ccco4)c(-c4nc5ccccc5[nH]4)c32)nc1.
What is the InChIKey of 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
The InChIKey is CILYJOILAVIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N8O2S3/c1-5-13-29-25(9-1)23-31(54-29)35-34(30-14-7-21-53-30)37(40-50-27-11-3-4-12-28(27)51-40)39-38(36(35)33-24-26-10-2-6-15-32(26)56-33)52-42(41-45-20-22-55-41)57(39,44-48-18-19-49-44)43-46-16-8-17-47-43/h1-24H,(H,48,49)(H,50,51).
What are the key properties of 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole?
7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole has a molecular weight of 794.95 g/mol, XLogP of 12.13, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 141309965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).