6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole

C22H14N4OS — CID 70864417

IUPAC6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5cn6ccsc6n5)cccc4[nH]3)o2)cc1
InChIInChI=1S/C22H14N4OS/c1-2-5-14(6-3-1)18-9-10-19(27-18)21-23-16-8-4-7-15(20(16)25-21)17-13-26-11-12-28-22(26)24-17/h1-13H,(H,23,25)
InChIKeyZTJKWUCVHYQWRD-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.87
Rot. Bonds3

About 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole

6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 70864417) has the molecular formula C22H14N4OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID70864417
Molecular FormulaC22H14N4OS
Molecular Weight382.45 g/mol
Exact Mass382.09
IUPAC Name6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5cn6ccsc6n5)cccc4[nH]3)o2)cc1
InChIInChI=1S/C22H14N4OS/c1-2-5-14(6-3-1)18-9-10-19(27-18)21-23-16-8-4-7-15(20(16)25-21)17-13-26-11-12-28-22(26)24-17/h1-13H,(H,23,25)
InChIKeyZTJKWUCVHYQWRD-UHFFFAOYSA-N
XLogP5.87
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole (CID 70864417) is 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole is c1ccc(-c2ccc(-c3nc4c(-c5cn6ccsc6n5)cccc4[nH]3)o2)cc1.
What is the InChIKey of 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZTJKWUCVHYQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4OS/c1-2-5-14(6-3-1)18-9-10-19(27-18)21-23-16-8-4-7-15(20(16)25-21)17-13-26-11-12-28-22(26)24-17/h1-13H,(H,23,25).
What are the key properties of 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole?
6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 382.45 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70864417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).