4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole

C16H8F3N3S — CID 75415684

IUPAC4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3nc4cc(F)c(F)cc4[nH]3)cs2)cc1
InChIInChI=1S/C16H8F3N3S/c17-9-3-1-8(2-4-9)16-22-14(7-23-16)15-20-12-5-10(18)11(19)6-13(12)21-15/h1-7H,(H,20,21)
InChIKeyRMMQJFMSXLQFEK-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.77
Rot. Bonds2

About 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole

4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 75415684) has the molecular formula C16H8F3N3S and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
PubChem CID75415684
Molecular FormulaC16H8F3N3S
Molecular Weight331.32 g/mol
Exact Mass331.04
IUPAC Name4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3nc4cc(F)c(F)cc4[nH]3)cs2)cc1
InChIInChI=1S/C16H8F3N3S/c17-9-3-1-8(2-4-9)16-22-14(7-23-16)15-20-12-5-10(18)11(19)6-13(12)21-15/h1-7H,(H,20,21)
InChIKeyRMMQJFMSXLQFEK-UHFFFAOYSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole (CID 75415684) is 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2nc(-c3nc4cc(F)c(F)cc4[nH]3)cs2)cc1.
What is the InChIKey of 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is RMMQJFMSXLQFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3S/c17-9-3-1-8(2-4-9)16-22-14(7-23-16)15-20-12-5-10(18)11(19)6-13(12)21-15/h1-7H,(H,20,21).
What are the key properties of 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 331.32 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 75415684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).