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

C20H18FN3O3S — CID 73387404

IUPAC5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOCCOCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C20H18FN3O3S/c1-26-6-7-27-10-13-8-14(21)3-4-15(13)19-22-18(11-28-19)12-2-5-16-17(9-12)24-20(25)23-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,23,24,25)
InChIKeyLPZAAQGJQXBEMK-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.95
Rot. Bonds7

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

5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 73387404) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID73387404
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOCCOCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C20H18FN3O3S/c1-26-6-7-27-10-13-8-14(21)3-4-15(13)19-22-18(11-28-19)12-2-5-16-17(9-12)24-20(25)23-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,23,24,25)
InChIKeyLPZAAQGJQXBEMK-UHFFFAOYSA-N
XLogP3.95
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-Fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73211783
3-[2-(dimethylamino)ethyl]-5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1H-benzimidazol-2-one
CID 73387296
3-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1H-benzimidazol-2-one
CID 118707618
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 17483715
5-[2-(2-Ethyl-4-fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73387297
5-[2-[4-Fluoro-2-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 118305944
5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol
CID 126489233
5-[2-[4-Fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 160280240
5-[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 17395932
5-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 24431813
N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 97134583
5-[2-[4-Fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
CID 118987753

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 73387404) is 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is COCCOCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LPZAAQGJQXBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-26-6-7-27-10-13-8-14(21)3-4-15(13)19-22-18(11-28-19)12-2-5-16-17(9-12)24-20(25)23-16/h2-5,8-9,11H,6-7,10H2,1H3,(H2,23,24,25).
What are the key properties of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 399.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 73387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).