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

C18H14FN3OS — CID 73387297

IUPAC5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C18H14FN3OS/c1-2-10-7-12(19)4-5-13(10)17-20-16(9-24-17)11-3-6-14-15(8-11)22-18(23)21-14/h3-9H,2H2,1H3,(H2,21,22,23)
InChIKeyDLRSVBGOGOGZLU-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.35
Rot. Bonds3

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

5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 73387297) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID73387297
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C18H14FN3OS/c1-2-10-7-12(19)4-5-13(10)17-20-16(9-24-17)11-3-6-14-15(8-11)22-18(23)21-14/h3-9H,2H2,1H3,(H2,21,22,23)
InChIKeyDLRSVBGOGOGZLU-UHFFFAOYSA-N
XLogP4.35
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(2-ethyl-4-fluorophenyl)-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-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 73387297) is 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is CCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DLRSVBGOGOGZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c1-2-10-7-12(19)4-5-13(10)17-20-16(9-24-17)11-3-6-14-15(8-11)22-18(23)21-14/h3-9H,2H2,1H3,(H2,21,22,23).
What are the key properties of 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 339.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 73387297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).