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

C17H12FN3OS — CID 73211783

IUPAC5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C17H12FN3OS/c1-9-6-11(18)3-4-12(9)16-19-15(8-23-16)10-2-5-13-14(7-10)21-17(22)20-13/h2-8H,1H3,(H2,20,21,22)
InChIKeyFTJZJSPAXVCBBO-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.09
Rot. Bonds2

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

5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 73211783) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID73211783
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C17H12FN3OS/c1-9-6-11(18)3-4-12(9)16-19-15(8-23-16)10-2-5-13-14(7-10)21-17(22)20-13/h2-8H,1H3,(H2,20,21,22)
InChIKeyFTJZJSPAXVCBBO-UHFFFAOYSA-N
XLogP4.09
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 73211783) is 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is Cc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FTJZJSPAXVCBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c1-9-6-11(18)3-4-12(9)16-19-15(8-23-16)10-2-5-13-14(7-10)21-17(22)20-13/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 325.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 73211783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).