2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole

C20H13N3OS — CID 139914564

IUPAC2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2nccs2)cc(-n2cnc3cc(-c4ccco4)ccc32)c1
InChIInChI=1S/C20H13N3OS/c1-3-15(20-21-8-10-25-20)11-16(4-1)23-13-22-17-12-14(6-7-18(17)23)19-5-2-9-24-19/h1-13H
InChIKeyVTQQHANLYGMXBF-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.41
Rot. Bonds3

About 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole

2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole (PubChem CID 139914564) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole
PubChem CID139914564
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2nccs2)cc(-n2cnc3cc(-c4ccco4)ccc32)c1
InChIInChI=1S/C20H13N3OS/c1-3-15(20-21-8-10-25-20)11-16(4-1)23-13-22-17-12-14(6-7-18(17)23)19-5-2-9-24-19/h1-13H
InChIKeyVTQQHANLYGMXBF-UHFFFAOYSA-N
XLogP5.41
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole (CID 139914564) is 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole is c1cc(-c2nccs2)cc(-n2cnc3cc(-c4ccco4)ccc32)c1.
What is the InChIKey of 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole?
The InChIKey is VTQQHANLYGMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-3-15(20-21-8-10-25-20)11-16(4-1)23-13-22-17-12-14(6-7-18(17)23)19-5-2-9-24-19/h1-13H.
What are the key properties of 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole?
2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole has a molecular weight of 343.41 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(furan-2-yl)benzimidazol-1-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 139914564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).