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

C37H21N5OS2 — CID 141018503

IUPAC2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole
SMILESc1ccc2oc(-c3cc4sc(-c5nc6ccccc6[nH]5)nc4c(-n4ncc5ccccc54)c3-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C37H21N5OS2/c1-6-14-27-23(11-1)20-38-42(27)35-33(31-18-22-10-3-8-16-30(22)44-31)24(29-17-21-9-2-7-15-28(21)43-29)19-32-34(35)41-37(45-32)36-39-25-12-4-5-13-26(25)40-36/h1-20H,(H,39,40)
InChIKeyVCJWPPQKTADUGN-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.47
Rot. Bonds4

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

2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole (PubChem CID 141018503) has the molecular formula C37H21N5OS2 and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole
PubChem CID141018503
Molecular FormulaC37H21N5OS2
Molecular Weight615.74 g/mol
Exact Mass615.12
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole
SMILESc1ccc2oc(-c3cc4sc(-c5nc6ccccc6[nH]5)nc4c(-n4ncc5ccccc54)c3-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C37H21N5OS2/c1-6-14-27-23(11-1)20-38-42(27)35-33(31-18-22-10-3-8-16-30(22)44-31)24(29-17-21-9-2-7-15-28(21)43-29)19-32-34(35)41-37(45-32)36-39-25-12-4-5-13-26(25)40-36/h1-20H,(H,39,40)
InChIKeyVCJWPPQKTADUGN-UHFFFAOYSA-N
XLogP10.47
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-[8-(1H-benzimidazol-2-yl)-1-(1-benzothiophen-2-yl)-2-(furan-2-yl)-6-indazol-1-yl-7H-purin-2-yl]-1,3-benzothiazole
CID 140979667
6-(1-benzofuran-2-yl)-5-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)indazole
CID 141039510
1-[2-(1H-benzimidazol-2-yl)-4-(1-benzothiophen-2-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)phenyl]indazole
CID 141041363
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
CID 141050937
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
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
2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
CID 141050980
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
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
2-[1-(1H-benzimidazol-2-yl)-2-(1-benzofuran-2-yl)-1-(1H-benzotriazol-4-yl)-5-isoquinolin-1-yl-4-quinolin-2-ylthiophen-3-yl]-1,3-benzothiazole
CID 141089332

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-indazol-1-yl-1,3-benzothiazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole (CID 141018503) is 2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-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-indazol-1-yl-1,3-benzothiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole is c1ccc2oc(-c3cc4sc(-c5nc6ccccc6[nH]5)nc4c(-n4ncc5ccccc54)c3-c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole?
The InChIKey is VCJWPPQKTADUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5OS2/c1-6-14-27-23(11-1)20-38-42(27)35-33(31-18-22-10-3-8-16-30(22)44-31)24(29-17-21-9-2-7-15-28(21)43-29)19-32-34(35)41-37(45-32)36-39-25-12-4-5-13-26(25)40-36/h1-20H,(H,39,40).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole?
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole has a molecular weight of 615.74 g/mol, XLogP of 10.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-indazol-1-yl-1,3-benzothiazole is sourced from PubChem (CID 141018503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).