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

C19H15F2N3OS — CID 156700977

IUPAC2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESFc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1F
InChIInChI=1S/C19H15F2N3OS/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
InChIKeyBNQXCIUECRAWBD-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.73
Rot. Bonds6

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

2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (PubChem CID 156700977) has the molecular formula C19H15F2N3OS and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
PubChem CID156700977
Molecular FormulaC19H15F2N3OS
Molecular Weight371.41 g/mol
Exact Mass371.09
IUPAC Name2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESFc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1F
InChIInChI=1S/C19H15F2N3OS/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
InChIKeyBNQXCIUECRAWBD-UHFFFAOYSA-N
XLogP4.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (CID 156700977) is 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is Fc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)cc1F.
What is the InChIKey of 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The InChIKey is BNQXCIUECRAWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3OS/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-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole has a molecular weight of 371.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is sourced from PubChem (CID 156700977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).