2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine

C37H25N9S2 — CID 141060181

IUPAC2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine
SMILESc1ccc2nc(-c3nc4c(-c5c[nH]nn5)c(-c5nc6ccccc6[nH]5)c(-c5cc6ccccc6s5)cc4nc3C3NCCS3)ccc2c1
InChIInChI=1S/C37H25N9S2/c1-3-9-23-20(7-1)13-14-26(40-23)34-35(37-38-15-16-47-37)41-27-18-22(30-17-21-8-2-6-12-29(21)48-30)31(32(33(27)44-34)28-19-39-46-45-28)36-42-24-10-4-5-11-25(24)43-36/h1-14,17-19,37-38H,15-16H2,(H,42,43)(H,39,45,46)
InChIKeyUBCYOQKFCLVTEX-UHFFFAOYSA-N
MW659.80 g/mol
LogP8.39
Rot. Bonds5

About 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine

2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine (PubChem CID 141060181) has the molecular formula C37H25N9S2 and a molecular weight of 659.80 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine
PubChem CID141060181
Molecular FormulaC37H25N9S2
Molecular Weight659.80 g/mol
Exact Mass659.17
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine
SMILESc1ccc2nc(-c3nc4c(-c5c[nH]nn5)c(-c5nc6ccccc6[nH]5)c(-c5cc6ccccc6s5)cc4nc3C3NCCS3)ccc2c1
InChIInChI=1S/C37H25N9S2/c1-3-9-23-20(7-1)13-14-26(40-23)34-35(37-38-15-16-47-37)41-27-18-22(30-17-21-8-2-6-12-29(21)48-30)31(32(33(27)44-34)28-19-39-46-45-28)36-42-24-10-4-5-11-25(24)43-36/h1-14,17-19,37-38H,15-16H2,(H,42,43)(H,39,45,46)
InChIKeyUBCYOQKFCLVTEX-UHFFFAOYSA-N
XLogP8.39
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.80
LogP ≤ 58.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine 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

1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136643031
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136643073
2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019247
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214376
5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 138961933
1-phenyl-N-[[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 138961939
5-fluoro-4-[7-(1H-indol-4-yl)-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 57445117
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 136273103
N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136935781
2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 136935796
2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136935813
N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136935819

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine (CID 141060181) is 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine is c1ccc2nc(-c3nc4c(-c5c[nH]nn5)c(-c5nc6ccccc6[nH]5)c(-c5cc6ccccc6s5)cc4nc3C3NCCS3)ccc2c1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine?
The InChIKey is UBCYOQKFCLVTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N9S2/c1-3-9-23-20(7-1)13-14-26(40-23)34-35(37-38-15-16-47-37)41-27-18-22(30-17-21-8-2-6-12-29(21)48-30)31(32(33(27)44-34)28-19-39-46-45-28)36-42-24-10-4-5-11-25(24)43-36/h1-14,17-19,37-38H,15-16H2,(H,42,43)(H,39,45,46).
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine?
2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine has a molecular weight of 659.80 g/mol, XLogP of 8.39, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-7-(1-benzothiophen-2-yl)-3-quinolin-2-yl-5-(1H-triazol-4-yl)quinoxalin-2-yl]-1,3-thiazolidine is sourced from PubChem (CID 141060181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).