2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole

C41H23N7O2S — CID 141085177

IUPAC2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c4nc(-c5nc6ccccc6[nH]5)oc4c3-c3ccnnn3)cc2c1
InChIInChI=1S/C41H23N7O2S/c1-4-12-25-22(9-1)19-29(43-25)34-35(28-17-18-42-48-47-28)39-38(46-41(50-39)40-44-26-13-5-6-14-27(26)45-40)37(33-21-24-11-3-8-16-32(24)51-33)36(34)31-20-23-10-2-7-15-30(23)49-31/h1-21,43H,(H,44,45)
InChIKeyNRTCPMXGZCQZSR-UHFFFAOYSA-N
MW677.75 g/mol
LogP10.67
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole (PubChem CID 141085177) has the molecular formula C41H23N7O2S and a molecular weight of 677.75 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)-7-(triazin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole
PubChem CID141085177
Molecular FormulaC41H23N7O2S
Molecular Weight677.75 g/mol
Exact Mass677.16
IUPAC Name2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c4nc(-c5nc6ccccc6[nH]5)oc4c3-c3ccnnn3)cc2c1
InChIInChI=1S/C41H23N7O2S/c1-4-12-25-22(9-1)19-29(43-25)34-35(28-17-18-42-48-47-28)39-38(46-41(50-39)40-44-26-13-5-6-14-27(26)45-40)37(33-21-24-11-3-8-16-32(24)51-33)36(34)31-20-23-10-2-7-15-30(23)49-31/h1-21,43H,(H,44,45)
InChIKeyNRTCPMXGZCQZSR-UHFFFAOYSA-N
XLogP10.67
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.75
LogP ≤ 510.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole with MolForge

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Related Compounds

2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
3-(azocin-2-yl)-7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(2-benzylsulfanylphenyl)-2H-1,3-benzoxazole
CID 91336443
2-(2-benzylsulfanylphenyl)-4-(1H-imidazol-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-7-pyrimidin-2-yl-1,3-benzoxazole
CID 91593466
2-[2-(1-benzothiophen-2-yl)-7-(1H-imidazol-2-yl)-3-naphthalen-1-yl-6-pyrazin-2-yl-4-(1,3-thiazol-2-yl)-1-benzofuran-5-yl]-1,3-oxazole
CID 140973248
2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazole
CID 140991667
3-[2-(1H-benzimidazol-2-yl)-4-(1-benzofuran-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-yl-2-thiophen-2-yl-3H-1,3-benzoxazol-5-yl]chromen-2-one
CID 140999262
2-[7-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-ylquinazolin-5-yl]-1,3-benzoxazole
CID 141050935
7-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-1H-benzimidazole
CID 141050966
4-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-5-(1-benzothiophen-2-yl)-1,3-benzoxazole
CID 141050981
2-[5-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-1-(furan-2-yl)-6-indazol-1-ylbenzotriazol-4-yl]-1,3-benzoxazole
CID 141059167
2-[5-(1H-benzimidazol-2-yl)-2-(9H-carbazol-1-yl)-6-pyrimidin-2-yl-4-quinoxalin-2-yl-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141069858
2-[7-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-yl)-6-(1H-indazol-3-yl)-1H-benzotriazol-4-yl]-1,3-benzoxazole
CID 141091614

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)-7-(triazin-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole (CID 141085177) is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole.
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)-7-(triazin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole is c1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c4nc(-c5nc6ccccc6[nH]5)oc4c3-c3ccnnn3)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)-7-(triazin-4-yl)-1,3-benzoxazole?
The InChIKey is NRTCPMXGZCQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N7O2S/c1-4-12-25-22(9-1)19-29(43-25)34-35(28-17-18-42-48-47-28)39-38(46-41(50-39)40-44-26-13-5-6-14-27(26)45-40)37(33-21-24-11-3-8-16-32(24)51-33)36(34)31-20-23-10-2-7-15-30(23)49-31/h1-21,43H,(H,44,45).
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)-7-(triazin-4-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole has a molecular weight of 677.75 g/mol, XLogP of 10.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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)-7-(triazin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 141085177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).