6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole

C37H23N7OS — CID 141075078

IUPAC6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole
SMILESc1c[nH]c(-c2c(-c3nnc[nH]3)c(-c3cc4ccccc4o3)c(-c3cc4ccccc4s3)c3[nH]c(-c4cc5ccccc5[nH]4)nc23)c1
InChIInChI=1S/C37H23N7OS/c1-4-11-23-20(8-1)16-25(41-23)36-42-34-30(24-12-7-15-38-24)33(37-39-19-40-44-37)31(27-17-21-9-2-5-13-26(21)45-27)32(35(34)43-36)29-18-22-10-3-6-14-28(22)46-29/h1-19,38,41H,(H,42,43)(H,39,40,44)
InChIKeyHIAJILPNRGVSGQ-UHFFFAOYSA-N
MW613.71 g/mol
LogP9.79
Rot. Bonds5

About 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole

6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole (PubChem CID 141075078) has the molecular formula C37H23N7OS and a molecular weight of 613.71 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole
PubChem CID141075078
Molecular FormulaC37H23N7OS
Molecular Weight613.71 g/mol
Exact Mass613.17
IUPAC Name6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole
SMILESc1c[nH]c(-c2c(-c3nnc[nH]3)c(-c3cc4ccccc4o3)c(-c3cc4ccccc4s3)c3[nH]c(-c4cc5ccccc5[nH]4)nc23)c1
InChIInChI=1S/C37H23N7OS/c1-4-11-23-20(8-1)16-25(41-23)36-42-34-30(24-12-7-15-38-24)33(37-39-19-40-44-37)31(27-17-21-9-2-5-13-26(21)45-27)32(35(34)43-36)29-18-22-10-3-6-14-28(22)46-29/h1-19,38,41H,(H,42,43)(H,39,40,44)
InChIKeyHIAJILPNRGVSGQ-UHFFFAOYSA-N
XLogP9.79
TPSA114.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.71
LogP ≤ 59.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole 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
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
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
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
methyl N-[1-[2-[6-[6-[5-[2-[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]-11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaen-3-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123636936
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
6-[6-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole
CID 129036150
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole
CID 138492174
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

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole (CID 141075078) is 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole is c1c[nH]c(-c2c(-c3nnc[nH]3)c(-c3cc4ccccc4o3)c(-c3cc4ccccc4s3)c3[nH]c(-c4cc5ccccc5[nH]4)nc23)c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole?
The InChIKey is HIAJILPNRGVSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7OS/c1-4-11-23-20(8-1)16-25(41-23)36-42-34-30(24-12-7-15-38-24)33(37-39-19-40-44-37)31(27-17-21-9-2-5-13-26(21)45-27)32(35(34)43-36)29-18-22-10-3-6-14-28(22)46-29/h1-19,38,41H,(H,42,43)(H,39,40,44).
What are the key properties of 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole?
6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole has a molecular weight of 613.71 g/mol, XLogP of 9.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-5-(4H-1,2,4-triazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 141075078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).