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

C19H16ClN3OS — CID 156700982

IUPAC2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESClc1ccccc1C(Cn1ccnc1)OCc1nc2ccccc2s1
InChIInChI=1S/C19H16ClN3OS/c20-15-6-2-1-5-14(15)17(11-23-10-9-21-13-23)24-12-19-22-16-7-3-4-8-18(16)25-19/h1-10,13,17H,11-12H2
InChIKeyOSDHSVXCXYPTBC-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.10
Rot. Bonds6

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

2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (PubChem CID 156700982) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
PubChem CID156700982
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole
SMILESClc1ccccc1C(Cn1ccnc1)OCc1nc2ccccc2s1
InChIInChI=1S/C19H16ClN3OS/c20-15-6-2-1-5-14(15)17(11-23-10-9-21-13-23)24-12-19-22-16-7-3-4-8-18(16)25-19/h1-10,13,17H,11-12H2
InChIKeyOSDHSVXCXYPTBC-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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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole (CID 156700982) is 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is Clc1ccccc1C(Cn1ccnc1)OCc1nc2ccccc2s1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
The InChIKey is OSDHSVXCXYPTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-15-6-2-1-5-14(15)17(11-23-10-9-21-13-23)24-12-19-22-16-7-3-4-8-18(16)25-19/h1-10,13,17H,11-12H2.
What are the key properties of 2-[[1-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole?
2-[[1-(2-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-(2-chlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzothiazole is sourced from PubChem (CID 156700982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).