5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

C16H10FN3OS — CID 17395932

IUPAC5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(-c4cccc(F)c4)n3)cc2[nH]1
InChIInChI=1S/C16H10FN3OS/c17-11-3-1-2-10(6-11)15-18-14(8-22-15)9-4-5-12-13(7-9)20-16(21)19-12/h1-8H,(H2,19,20,21)
InChIKeyAEWFLNXWRUCNTQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.79
Rot. Bonds2

About 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 17395932) has the molecular formula C16H10FN3OS and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID17395932
Molecular FormulaC16H10FN3OS
Molecular Weight311.34 g/mol
Exact Mass311.05
IUPAC Name5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(-c4cccc(F)c4)n3)cc2[nH]1
InChIInChI=1S/C16H10FN3OS/c17-11-3-1-2-10(6-11)15-18-14(8-22-15)9-4-5-12-13(7-9)20-16(21)19-12/h1-8H,(H2,19,20,21)
InChIKeyAEWFLNXWRUCNTQ-UHFFFAOYSA-N
XLogP3.79
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 17395932) is 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(-c4cccc(F)c4)n3)cc2[nH]1.
What is the InChIKey of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AEWFLNXWRUCNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3OS/c17-11-3-1-2-10(6-11)15-18-14(8-22-15)9-4-5-12-13(7-9)20-16(21)19-12/h1-8H,(H2,19,20,21).
What are the key properties of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 17395932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).