2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole

C19H15ClFN3OS — CID 156700975

IUPAC2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESFc1cc(C(Cn2ccnc2)OCc2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C19H15ClFN3OS/c20-14-6-5-13(9-15(14)21)17(10-24-8-7-22-12-24)25-11-19-23-16-3-1-2-4-18(16)26-19/h1-9,12,17H,10-11H2
InChIKeyVZIIGDQFNOKUFT-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.24
Rot. Bonds6

About 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole

2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (PubChem CID 156700975) has the molecular formula C19H15ClFN3OS and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
PubChem CID156700975
Molecular FormulaC19H15ClFN3OS
Molecular Weight387.87 g/mol
Exact Mass387.06
IUPAC Name2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESFc1cc(C(Cn2ccnc2)OCc2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C19H15ClFN3OS/c20-14-6-5-13(9-15(14)21)17(10-24-8-7-22-12-24)25-11-19-23-16-3-1-2-4-18(16)26-19/h1-9,12,17H,10-11H2
InChIKeyVZIIGDQFNOKUFT-UHFFFAOYSA-N
XLogP5.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole
CID 142505454
2-[[1-(3,4-Dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700981
2-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]-1,3-benzothiazole
CID 134132637
2-[2-(1H-imidazol-5-yl)ethoxy-phenylmethyl]-1,3-benzothiazole
CID 134136759
2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole
CID 134154891
2-[[1-(3-Bromophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700969
2-[[1-(4-Bromophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700973
2-[[1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700974
2-[[1-(3-Chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700976
2-[[1-(3,4-Difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700977
2-[[1-(2,4-Difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700979
2-[[1-(4-Chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700980

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (CID 156700975) is 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is Fc1cc(C(Cn2ccnc2)OCc2nc3ccccc3s2)ccc1Cl.
What is the InChIKey of 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The InChIKey is VZIIGDQFNOKUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3OS/c20-14-6-5-13(9-15(14)21)17(10-24-8-7-22-12-24)25-11-19-23-16-3-1-2-4-18(16)26-19/h1-9,12,17H,10-11H2.
What are the key properties of 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole has a molecular weight of 387.87 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is sourced from PubChem (CID 156700975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).