2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole

C25H16N8OS — CID 141056964

IUPAC2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3ccco3)c(-c3ccn[nH]3)c(-c3ncc[nH]3)c3nc(-c4nccs4)[nH]c23)nc1
InChIInChI=1S/C25H16N8OS/c1-2-7-26-14(4-1)18-19(16-5-3-12-34-16)17(15-6-8-30-33-15)20(23-27-9-10-28-23)22-21(18)31-24(32-22)25-29-11-13-35-25/h1-13H,(H,27,28)(H,30,33)(H,31,32)
InChIKeyCJNWTMNUXBQVRR-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.79
Rot. Bonds5

About 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole

2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole (PubChem CID 141056964) has the molecular formula C25H16N8OS and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
PubChem CID141056964
Molecular FormulaC25H16N8OS
Molecular Weight476.53 g/mol
Exact Mass476.12
IUPAC Name2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3ccco3)c(-c3ccn[nH]3)c(-c3ncc[nH]3)c3nc(-c4nccs4)[nH]c23)nc1
InChIInChI=1S/C25H16N8OS/c1-2-7-26-14(4-1)18-19(16-5-3-12-34-16)17(15-6-8-30-33-15)20(23-27-9-10-28-23)22-21(18)31-24(32-22)25-29-11-13-35-25/h1-13H,(H,27,28)(H,30,33)(H,31,32)
InChIKeyCJNWTMNUXBQVRR-UHFFFAOYSA-N
XLogP5.79
TPSA124.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole with MolForge

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Related Compounds

5-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
CID 141048940
ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene
CID 159789083
2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 141214750
2-[2-(1H-pyrazol-5-yl)-1H-indol-3-yl]-1,3-thiazole
CID 137228711
4-(1H-imidazol-2-yl)-2,3-dipyridin-2-ylpyridine
CID 123457191
2-[2-(furan-2-yl)phenyl]pyridine
CID 168525808
4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine
CID 11434639
2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole
CID 54225553
2-(furan-2-yl)-3H-imidazo[4,5-f]quinoxaline
CID 13428669
2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine
CID 141096355
2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
CID 141180704
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole (CID 141056964) is 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole is c1ccc(-c2c(-c3ccco3)c(-c3ccn[nH]3)c(-c3ncc[nH]3)c3nc(-c4nccs4)[nH]c23)nc1.
What is the InChIKey of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is CJNWTMNUXBQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N8OS/c1-2-7-26-14(4-1)18-19(16-5-3-12-34-16)17(15-6-8-30-33-15)20(23-27-9-10-28-23)22-21(18)31-24(32-22)25-29-11-13-35-25/h1-13H,(H,27,28)(H,30,33)(H,31,32).
What are the key properties of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole?
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 476.53 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 141056964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).