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

C19H16ClN3OS — CID 156700976

IUPAC2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESClc1cccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c1
InChIInChI=1S/C19H16ClN3OS/c20-15-5-3-4-14(10-15)17(11-23-9-8-21-13-23)24-12-19-22-16-6-1-2-7-18(16)25-19/h1-10,13,17H,11-12H2
InChIKeyLGYOTGVBFVXZBT-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.10
Rot. Bonds6

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

2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (PubChem CID 156700976) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
PubChem CID156700976
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESClc1cccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c1
InChIInChI=1S/C19H16ClN3OS/c20-15-5-3-4-14(10-15)17(11-23-9-8-21-13-23)24-12-19-22-16-6-1-2-7-18(16)25-19/h1-10,13,17H,11-12H2
InChIKeyLGYOTGVBFVXZBT-UHFFFAOYSA-N
XLogP5.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.88
LogP ≤ 55.10
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-[(E)-2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzothiazole;hydrochloride
CID 49860341
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-[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-(4-Chloro-3-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700975
2-[[1-(3,4-Difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
CID 156700977

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (CID 156700976) is 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is Clc1cccc(C(Cn2ccnc2)OCc2nc3ccccc3s2)c1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The InChIKey is LGYOTGVBFVXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-15-5-3-4-14(10-15)17(11-23-9-8-21-13-23)24-12-19-22-16-6-1-2-7-18(16)25-19/h1-10,13,17H,11-12H2.
What are the key properties of 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole has a molecular weight of 369.88 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is sourced from PubChem (CID 156700976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).