2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole

C48H29N5OS2 — CID 141427138

IUPAC2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5s4)c(-c4nccs4)c(-c4nc5ccccc5[nH]4)c(-c4occ5ccccc45)c3-c3[nH]cc4ccccc34)cc2c1
InChIInChI=1S/C48H29N5OS2/c1-5-15-31-29(13-1)25-50-45(31)41-39(36-23-27-11-3-7-17-33(27)51-36)40(38-24-28-12-4-10-20-37(28)56-38)44(48-49-21-22-55-48)43(47-52-34-18-8-9-19-35(34)53-47)42(41)46-32-16-6-2-14-30(32)26-54-46/h1-26,50-51H,(H,52,53)
InChIKeyWUKWOEZGAWWTKR-UHFFFAOYSA-N
MW755.93 g/mol
LogP13.94
Rot. Bonds6

About 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole

2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole (PubChem CID 141427138) has the molecular formula C48H29N5OS2 and a molecular weight of 755.93 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole
PubChem CID141427138
Molecular FormulaC48H29N5OS2
Molecular Weight755.93 g/mol
Exact Mass755.18
IUPAC Name2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5s4)c(-c4nccs4)c(-c4nc5ccccc5[nH]4)c(-c4occ5ccccc45)c3-c3[nH]cc4ccccc34)cc2c1
InChIInChI=1S/C48H29N5OS2/c1-5-15-31-29(13-1)25-50-45(31)41-39(36-23-27-11-3-7-17-33(27)51-36)40(38-24-28-12-4-10-20-37(28)56-38)44(48-49-21-22-55-48)43(47-52-34-18-8-9-19-35(34)53-47)42(41)46-32-16-6-2-14-30(32)26-54-46/h1-26,50-51H,(H,52,53)
InChIKeyWUKWOEZGAWWTKR-UHFFFAOYSA-N
XLogP13.94
TPSA86.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.93
LogP ≤ 513.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
2-[2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1-methylpyrrol-1-ium-1-yl]-5-naphthalen-2-yl-1H-imidazole
CID 54322246
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indole
CID 69368831
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
CID 91488740
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
2-[2-[3-[3-[1-Methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118245953
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118474430
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
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 123589093
2-pyrrolidin-2-yl-5-[5-[6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaen-3-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]thiophen-2-yl]-1H-imidazole
CID 123886965
12-(4-Dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole
CID 134352636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole (CID 141427138) is 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole is c1ccc2[nH]c(-c3c(-c4cc5ccccc5s4)c(-c4nccs4)c(-c4nc5ccccc5[nH]4)c(-c4occ5ccccc45)c3-c3[nH]cc4ccccc34)cc2c1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole?
The InChIKey is WUKWOEZGAWWTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5OS2/c1-5-15-31-29(13-1)25-50-45(31)41-39(36-23-27-11-3-7-17-33(27)51-36)40(38-24-28-12-4-10-20-37(28)56-38)44(48-49-21-22-55-48)43(47-52-34-18-8-9-19-35(34)53-47)42(41)46-32-16-6-2-14-30(32)26-54-46/h1-26,50-51H,(H,52,53).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole?
2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole has a molecular weight of 755.93 g/mol, XLogP of 13.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)-3-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 141427138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).