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

C38H22N4OS2 — CID 141151485

IUPAC2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3cc4sc(-c5nc6ccccc6[nH]5)nc4c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C38H22N4OS2/c1-4-12-25-21(9-1)17-28(39-25)24-20-33-36(42-38(45-33)37-40-26-13-5-6-14-27(26)41-37)35(32-19-23-11-3-8-16-31(23)44-32)34(24)30-18-22-10-2-7-15-29(22)43-30/h1-20,39H,(H,40,41)
InChIKeyWXVRGWQBTNSPFV-UHFFFAOYSA-N
MW614.76 g/mol
LogP11.28
Rot. Bonds4

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

2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole (PubChem CID 141151485) has the molecular formula C38H22N4OS2 and a molecular weight of 614.76 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
PubChem CID141151485
Molecular FormulaC38H22N4OS2
Molecular Weight614.76 g/mol
Exact Mass614.12
IUPAC Name2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3cc4sc(-c5nc6ccccc6[nH]5)nc4c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C38H22N4OS2/c1-4-12-25-21(9-1)17-28(39-25)24-20-33-36(42-38(45-33)37-40-26-13-5-6-14-27(26)41-37)35(32-19-23-11-3-8-16-31(23)44-32)34(24)30-18-22-10-2-7-15-29(22)43-30/h1-20,39H,(H,40,41)
InChIKeyWXVRGWQBTNSPFV-UHFFFAOYSA-N
XLogP11.28
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.76
LogP ≤ 511.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(9-Dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 88878134
1-[3-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-2-phenylbenzimidazole
CID 89948134
1-[3-(3-Dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)phenyl]-2-phenylbenzimidazole
CID 89948161
9-[8-[8-(2-Ethylbenzimidazol-1-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 89948186
2-[7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-4-(2-benzylsulfanylphenyl)-3-(1H-indol-2-yl)-2H-1,3-benzothiazol-5-yl]-1,3-benzoxazole
CID 91045967
2,9-Di(dibenzofuran-4-yl)benzimidazolo[2,1-b][1,3]benzothiazole
CID 117847229
9-(8-Carbazol-9-yldibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
CID 117847230
2-(8-Carbazol-9-yldibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
CID 117854978
9-[8-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzofuran-2-yl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 117854981
12-[6-[4-(4-Dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 117855513
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1H-imidazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 117983917
3-[8-[5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzofuran-2-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118503316

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole (CID 141151485) is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole is c1ccc2[nH]c(-c3cc4sc(-c5nc6ccccc6[nH]5)nc4c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
The InChIKey is WXVRGWQBTNSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS2/c1-4-12-25-21(9-1)17-28(39-25)24-20-33-36(42-38(45-33)37-40-26-13-5-6-14-27(26)41-37)35(32-19-23-11-3-8-16-31(23)44-32)34(24)30-18-22-10-2-7-15-29(22)43-30/h1-20,39H,(H,40,41).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole?
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole has a molecular weight of 614.76 g/mol, XLogP of 11.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 141151485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).