2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C16H11FN2OS — CID 3673773

IUPAC2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=C1C(Cc2ccc(F)cc2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11FN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-8,14H,9H2
InChIKeyRKSSJIOPLVMIQL-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.53
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 3673773) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID3673773
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=C1C(Cc2ccc(F)cc2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H11FN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-8,14H,9H2
InChIKeyRKSSJIOPLVMIQL-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 3673773) is 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=C1C(Cc2ccc(F)cc2)Sc2nc3ccccc3n21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is RKSSJIOPLVMIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-8,14H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 3673773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).