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

C23H14N4OS — CID 70864391

IUPAC2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc4ccc(-c5nc6ccncc6s5)cc4[nH]3)o2)cc1
InChIInChI=1S/C23H14N4OS/c1-2-4-14(5-3-1)19-8-9-20(28-19)22-25-16-7-6-15(12-18(16)26-22)23-27-17-10-11-24-13-21(17)29-23/h1-13H,(H,25,26)
InChIKeyOADFEOKBMAYSNL-UHFFFAOYSA-N
MW394.46 g/mol
LogP6.16
Rot. Bonds3

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

2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 70864391) has the molecular formula C23H14N4OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID70864391
Molecular FormulaC23H14N4OS
Molecular Weight394.46 g/mol
Exact Mass394.09
IUPAC Name2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc4ccc(-c5nc6ccncc6s5)cc4[nH]3)o2)cc1
InChIInChI=1S/C23H14N4OS/c1-2-4-14(5-3-1)19-8-9-20(28-19)22-25-16-7-6-15(12-18(16)26-22)23-27-17-10-11-24-13-21(17)29-23/h1-13H,(H,25,26)
InChIKeyOADFEOKBMAYSNL-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)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine (CID 70864391) is 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine is c1ccc(-c2ccc(-c3nc4ccc(-c5nc6ccncc6s5)cc4[nH]3)o2)cc1.
What is the InChIKey of 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is OADFEOKBMAYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4OS/c1-2-4-14(5-3-1)19-8-9-20(28-19)22-25-16-7-6-15(12-18(16)26-22)23-27-17-10-11-24-13-21(17)29-23/h1-13H,(H,25,26).
What are the key properties of 2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(5-phenylfuran-2-yl)-3H-benzimidazol-5-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)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 70864391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).