2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole

C18H15N3OS — CID 134154891

IUPAC2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole
SMILESc1ccc(C(OCc2cnc[nH]2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H15N3OS/c1-2-6-13(7-3-1)17(22-11-14-10-19-12-20-14)18-21-15-8-4-5-9-16(15)23-18/h1-10,12,17H,11H2,(H,19,20)
InChIKeyQYSRKWITQHNWOV-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.33
Rot. Bonds5

About 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole

2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole (PubChem CID 134154891) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole
PubChem CID134154891
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole
SMILESc1ccc(C(OCc2cnc[nH]2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H15N3OS/c1-2-6-13(7-3-1)17(22-11-14-10-19-12-20-14)18-21-15-8-4-5-9-16(15)23-18/h1-10,12,17H,11H2,(H,19,20)
InChIKeyQYSRKWITQHNWOV-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[3-(5-methyl-1H-imidazol-4-yl)propoxy-phenylmethyl]-1,3-benzothiazole
CID 134153839
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-(4-Chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700975
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-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole (CID 134154891) is 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole is c1ccc(C(OCc2cnc[nH]2)c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole?
The InChIKey is QYSRKWITQHNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-2-6-13(7-3-1)17(22-11-14-10-19-12-20-14)18-21-15-8-4-5-9-16(15)23-18/h1-10,12,17H,11H2,(H,19,20).
What are the key properties of 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole?
2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole has a molecular weight of 321.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-5-ylmethoxy(phenyl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 134154891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).