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

C45H26N6OS2 — CID 141189608

IUPAC2-(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
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c(-c4n[nH]c5ccccc45)c4nc(-c5nc6ccccc6[nH]5)sc34)cc2c1
InChIInChI=1S/C45H26N6OS2/c1-5-15-28-24(11-1)21-32(46-28)37-38(34-22-25-12-2-9-19-33(25)52-34)39(36-23-26-13-3-10-20-35(26)53-36)40(41-27-14-4-6-16-29(27)50-51-41)42-43(37)54-45(49-42)44-47-30-17-7-8-18-31(30)48-44/h1-23,46H,(H,47,48)(H,50,51)
InChIKeySEEIVYFXRRDBPK-UHFFFAOYSA-N
MW730.88 g/mol
LogP12.83
Rot. Bonds5

About 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

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 (PubChem CID 141189608) has the molecular formula C45H26N6OS2 and a molecular weight of 730.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID141189608
Molecular FormulaC45H26N6OS2
Molecular Weight730.88 g/mol
Exact Mass730.16
IUPAC Name2-(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
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c(-c4n[nH]c5ccccc45)c4nc(-c5nc6ccccc6[nH]5)sc34)cc2c1
InChIInChI=1S/C45H26N6OS2/c1-5-15-28-24(11-1)21-32(46-28)37-38(34-22-25-12-2-9-19-33(25)52-34)39(36-23-26-13-3-10-20-35(26)53-36)40(41-27-14-4-6-16-29(27)50-51-41)42-43(37)54-45(49-42)44-47-30-17-7-8-18-31(30)48-44/h1-23,46H,(H,47,48)(H,50,51)
InChIKeySEEIVYFXRRDBPK-UHFFFAOYSA-N
XLogP12.83
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.88
LogP ≤ 512.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 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-[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
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
CID 141275777
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
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
CID 141113485
3-(1-benzofuran-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135636418
2-dibenzothiophen-4-yl-1H-benzimidazole
CID 139436159
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 141368891
2-[5-(1-benzofuran-2-yl)-6-(2H-isoindol-1-yl)-4-naphthalen-1-ylsulfanyl-1H-indazol-3-yl]-1,3-benzothiazole
CID 141196709

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c(-c4n[nH]c5ccccc45)c4nc(-c5nc6ccccc6[nH]5)sc34)cc2c1.
What is the InChIKey of 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?
The InChIKey is SEEIVYFXRRDBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N6OS2/c1-5-15-28-24(11-1)21-32(46-28)37-38(34-22-25-12-2-9-19-33(25)52-34)39(36-23-26-13-3-10-20-35(26)53-36)40(41-27-14-4-6-16-29(27)50-51-41)42-43(37)54-45(49-42)44-47-30-17-7-8-18-31(30)48-44/h1-23,46H,(H,47,48)(H,50,51).
What are the key properties of 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?
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 has a molecular weight of 730.88 g/mol, XLogP of 12.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141189608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).