2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine

C23H14N4OS — CID 25050939

IUPAC2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)o2)cc1
InChIInChI=1S/C23H14N4OS/c1-2-5-14(6-3-1)18-9-10-19(28-18)22-25-17-8-4-7-15(21(17)27-22)23-26-16-11-12-24-13-20(16)29-23/h1-13H,(H,25,27)
InChIKeyYCVPBMXMJAEHMN-UHFFFAOYSA-N
MW394.46 g/mol
LogP6.16
Rot. Bonds3

About 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine

2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 25050939) has the molecular formula C23H14N4OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID25050939
Molecular FormulaC23H14N4OS
Molecular Weight394.46 g/mol
Exact Mass394.09
IUPAC Name2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)o2)cc1
InChIInChI=1S/C23H14N4OS/c1-2-5-14(6-3-1)18-9-10-19(28-18)22-25-17-8-4-7-15(21(17)27-22)23-26-16-11-12-24-13-20(16)29-23/h1-13H,(H,25,27)
InChIKeyYCVPBMXMJAEHMN-UHFFFAOYSA-N
XLogP6.16
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine (CID 25050939) is 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine is c1ccc(-c2ccc(-c3nc4c(-c5nc6ccncc6s5)cccc4[nH]3)o2)cc1.
What is the InChIKey of 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is YCVPBMXMJAEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4OS/c1-2-5-14(6-3-1)18-9-10-19(28-18)22-25-17-8-4-7-15(21(17)27-22)23-26-16-11-12-24-13-20(16)29-23/h1-13H,(H,25,27).
What are the key properties of 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 394.46 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 25050939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).