2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole

C33H19N11S2 — CID 141143464

IUPAC2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole
SMILESc1ccc(-c2cc3nc(-c4nnn[nH]4)c(-c4nccs4)c(-c4ncccn4)c3c(-c3nc4ccccc4[nH]3)c2-c2cccs2)nc1
InChIInChI=1S/C33H19N11S2/c1-2-9-21-20(8-1)39-31(40-21)26-24(23-10-5-15-45-23)18(19-7-3-4-11-34-19)17-22-25(26)27(30-35-12-6-13-36-30)28(33-37-14-16-46-33)29(38-22)32-41-43-44-42-32/h1-17H,(H,39,40)(H,41,42,43,44)
InChIKeyTZAAYFXOCXUGLC-UHFFFAOYSA-N
MW633.73 g/mol
LogP7.33
Rot. Bonds6

About 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole

2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole (PubChem CID 141143464) has the molecular formula C33H19N11S2 and a molecular weight of 633.73 g/mol. Its IUPAC name is 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole
PubChem CID141143464
Molecular FormulaC33H19N11S2
Molecular Weight633.73 g/mol
Exact Mass633.13
IUPAC Name2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole
SMILESc1ccc(-c2cc3nc(-c4nnn[nH]4)c(-c4nccs4)c(-c4ncccn4)c3c(-c3nc4ccccc4[nH]3)c2-c2cccs2)nc1
InChIInChI=1S/C33H19N11S2/c1-2-9-21-20(8-1)39-31(40-21)26-24(23-10-5-15-45-23)18(19-7-3-4-11-34-19)17-22-25(26)27(30-35-12-6-13-36-30)28(33-37-14-16-46-33)29(38-22)32-41-43-44-42-32/h1-17H,(H,39,40)(H,41,42,43,44)
InChIKeyTZAAYFXOCXUGLC-UHFFFAOYSA-N
XLogP7.33
TPSA147.59 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500633.73
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole 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
4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 134474243
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214371
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214376
4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-6-methyl-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 145033210
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-6-methyl-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazole
CID 145033382
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-6-methyl-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 145037295
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
4-(7-butyl-3-hexyl-2-benzothiophen-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[4-(3,5-dihexylthiophen-2-yl)-2-pyridinyl]-1H-benzimidazole;4-(3,5-dihexylthiophen-2-yl)-2-(1H-pyrrol-2-yl)pyridine
CID 161822699
2-(4-Benzothiazolyl)phenylimidazo[4,5-f]1,10-phenanthroline
CID 129844275
iron(2+);bis(2-thiophen-3-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 168344346

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole (CID 141143464) is 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole is c1ccc(-c2cc3nc(-c4nnn[nH]4)c(-c4nccs4)c(-c4ncccn4)c3c(-c3nc4ccccc4[nH]3)c2-c2cccs2)nc1.
What is the InChIKey of 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole?
The InChIKey is TZAAYFXOCXUGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N11S2/c1-2-9-21-20(8-1)39-31(40-21)26-24(23-10-5-15-45-23)18(19-7-3-4-11-34-19)17-22-25(26)27(30-35-12-6-13-36-30)28(33-37-14-16-46-33)29(38-22)32-41-43-44-42-32/h1-17H,(H,39,40)(H,41,42,43,44).
What are the key properties of 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole?
2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole has a molecular weight of 633.73 g/mol, XLogP of 7.33, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-benzimidazol-2-yl)-7-pyridin-2-yl-4-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-6-thiophen-2-ylquinolin-3-yl]-1,3-thiazole is sourced from PubChem (CID 141143464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).