2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine

C42H24N8S2 — CID 141116259

IUPAC2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine
SMILESc1ccc2nc(-c3c(-c4cc5ccccc5s4)c(-c4nc5ccccc5[nH]4)cc4nc(-c5cc6ncccc6s5)nc(-c5ncc[nH]5)c34)ccc2c1
InChIInChI=1S/C42H24N8S2/c1-3-10-26-23(8-1)15-16-29(46-26)37-36(34-20-24-9-2-6-13-32(24)51-34)25(40-47-27-11-4-5-12-28(27)48-40)21-31-38(37)39(42-44-18-19-45-42)50-41(49-31)35-22-30-33(52-35)14-7-17-43-30/h1-22H,(H,44,45)(H,47,48)
InChIKeySTJYZCGAQNTCJT-UHFFFAOYSA-N
MW704.84 g/mol
LogP10.94
Rot. Bonds5

About 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine

2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine (PubChem CID 141116259) has the molecular formula C42H24N8S2 and a molecular weight of 704.84 g/mol. Its IUPAC name is 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine
PubChem CID141116259
Molecular FormulaC42H24N8S2
Molecular Weight704.84 g/mol
Exact Mass704.16
IUPAC Name2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine
SMILESc1ccc2nc(-c3c(-c4cc5ccccc5s4)c(-c4nc5ccccc5[nH]4)cc4nc(-c5cc6ncccc6s5)nc(-c5ncc[nH]5)c34)ccc2c1
InChIInChI=1S/C42H24N8S2/c1-3-10-26-23(8-1)15-16-29(46-26)37-36(34-20-24-9-2-6-13-32(24)51-34)25(40-47-27-11-4-5-12-28(27)48-40)21-31-38(37)39(42-44-18-19-45-42)50-41(49-31)35-22-30-33(52-35)14-7-17-43-30/h1-22H,(H,44,45)(H,47,48)
InChIKeySTJYZCGAQNTCJT-UHFFFAOYSA-N
XLogP10.94
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.84
LogP ≤ 510.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine with MolForge

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Related Compounds

N-[2-(6-methyl-1H-benzimidazol-2-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532390
N-[2-(1H-benzimidazol-2-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532392
Tld-1433
CID 145722627
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine
CID 25161028
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-8-ylthieno[3,2-d]pyrimidin-4-amine
CID 68901475
5-fluoro-4-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline
CID 145035807
N-[[5-[8-fluoro-5-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2,3-dihydro-1H-2-benzazepin-7-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145036112
7-fluoro-4-[4-methyl-7-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-6-(4-methyl-3-pyridinyl)-1,2-dihydroquinazoline
CID 145036360
4-fluoro-6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1,1a-dihydroazirino[1,2-a]quinazoline
CID 145037176
7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinoline
CID 145308072
7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinoline
CID 145308086
2-[3-[5-[2-fluoro-5-[6-(5-methyl-1H-imidazol-2-yl)-3-thiophen-2-ylquinoxalin-2-yl]phenyl]thiophen-2-yl]-2-(4-fluorophenyl)quinoxalin-6-yl]-1,3-thiazole
CID 156410494

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine?
The IUPAC name of 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine (CID 141116259) is 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine is c1ccc2nc(-c3c(-c4cc5ccccc5s4)c(-c4nc5ccccc5[nH]4)cc4nc(-c5cc6ncccc6s5)nc(-c5ncc[nH]5)c34)ccc2c1.
What is the InChIKey of 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine?
The InChIKey is STJYZCGAQNTCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N8S2/c1-3-10-26-23(8-1)15-16-29(46-26)37-36(34-20-24-9-2-6-13-32(24)51-34)25(40-47-27-11-4-5-12-28(27)48-40)21-31-38(37)39(42-44-18-19-45-42)50-41(49-31)35-22-30-33(52-35)14-7-17-43-30/h1-22H,(H,44,45)(H,47,48).
What are the key properties of 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine?
2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine has a molecular weight of 704.84 g/mol, XLogP of 10.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-4-(1H-imidazol-2-yl)-5-quinolin-2-ylquinazolin-2-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 141116259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).