2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone

C20H14ClN3OS — CID 159370783

IUPAC2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(-c2ncc(-c3cccc(Cl)c3)[nH]2)cc1)c1cscn1
InChIInChI=1S/C20H14ClN3OS/c21-16-3-1-2-15(9-16)17-10-22-20(24-17)14-6-4-13(5-7-14)8-19(25)18-11-26-12-23-18/h1-7,9-12H,8H2,(H,22,24)
InChIKeyLJSHBTBCSZEMKP-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.28
Rot. Bonds5

About 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone

2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone (PubChem CID 159370783) has the molecular formula C20H14ClN3OS and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
PubChem CID159370783
Molecular FormulaC20H14ClN3OS
Molecular Weight379.87 g/mol
Exact Mass379.05
IUPAC Name2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(-c2ncc(-c3cccc(Cl)c3)[nH]2)cc1)c1cscn1
InChIInChI=1S/C20H14ClN3OS/c21-16-3-1-2-15(9-16)17-10-22-20(24-17)14-6-4-13(5-7-14)8-19(25)18-11-26-12-23-18/h1-7,9-12H,8H2,(H,22,24)
InChIKeyLJSHBTBCSZEMKP-UHFFFAOYSA-N
XLogP5.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone (CID 159370783) is 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone is O=C(Cc1ccc(-c2ncc(-c3cccc(Cl)c3)[nH]2)cc1)c1cscn1.
What is the InChIKey of 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
The InChIKey is LJSHBTBCSZEMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3OS/c21-16-3-1-2-15(9-16)17-10-22-20(24-17)14-6-4-13(5-7-14)8-19(25)18-11-26-12-23-18/h1-7,9-12H,8H2,(H,22,24).
What are the key properties of 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone has a molecular weight of 379.87 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 159370783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).