5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol

C20H20FN3O3S — CID 126489233

IUPAC5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol
SMILESCOCCOCc1cc(F)ccc1-c1nc(-c2ccc3c(c2)NC(O)N3)cs1
InChIInChI=1S/C20H20FN3O3S/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/h2-5,8-9,11,20,23-25H,6-7,10H2,1H3
InChIKeyXGSRNUGXQGGZCW-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.89
Rot. Bonds7

About 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol

5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol (PubChem CID 126489233) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol.

Molecular Properties

Compound Name5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol
PubChem CID126489233
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol
SMILESCOCCOCc1cc(F)ccc1-c1nc(-c2ccc3c(c2)NC(O)N3)cs1
InChIInChI=1S/C20H20FN3O3S/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/h2-5,8-9,11,20,23-25H,6-7,10H2,1H3
InChIKeyXGSRNUGXQGGZCW-UHFFFAOYSA-N
XLogP3.89
TPSA75.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol?
The IUPAC name of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol (CID 126489233) is 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol.
What is the SMILES notation for 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol?
The canonical SMILES for 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol is COCCOCc1cc(F)ccc1-c1nc(-c2ccc3c(c2)NC(O)N3)cs1.
What is the InChIKey of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol?
The InChIKey is XGSRNUGXQGGZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/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/h2-5,8-9,11,20,23-25H,6-7,10H2,1H3.
What are the key properties of 5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol?
5-[2-[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]-1,3-thiazol-4-yl]-2,3-dihydro-1H-benzimidazol-2-ol has a molecular weight of 401.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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]-2,3-dihydro-1H-benzimidazol-2-ol is sourced from PubChem (CID 126489233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).