2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole

C20H13N3OS — CID 142629581

IUPAC2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2nc3ccc(-c4ccoc4)cc3[nH]2)cc(-c2nccs2)c1
InChIInChI=1S/C20H13N3OS/c1-2-14(10-15(3-1)20-21-7-9-25-20)19-22-17-5-4-13(11-18(17)23-19)16-6-8-24-12-16/h1-12H,(H,22,23)
InChIKeyDRXVQTUSXCCWHD-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.61
Rot. Bonds3

About 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole

2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole (PubChem CID 142629581) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole
PubChem CID142629581
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2nc3ccc(-c4ccoc4)cc3[nH]2)cc(-c2nccs2)c1
InChIInChI=1S/C20H13N3OS/c1-2-14(10-15(3-1)20-21-7-9-25-20)19-22-17-5-4-13(11-18(17)23-19)16-6-8-24-12-16/h1-12H,(H,22,23)
InChIKeyDRXVQTUSXCCWHD-UHFFFAOYSA-N
XLogP5.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole (CID 142629581) is 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole is c1cc(-c2nc3ccc(-c4ccoc4)cc3[nH]2)cc(-c2nccs2)c1.
What is the InChIKey of 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole?
The InChIKey is DRXVQTUSXCCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-2-14(10-15(3-1)20-21-7-9-25-20)19-22-17-5-4-13(11-18(17)23-19)16-6-8-24-12-16/h1-12H,(H,22,23).
What are the key properties of 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole?
2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole has a molecular weight of 343.41 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(furan-3-yl)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 142629581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).