2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole

C20H15ClFN3OS — CID 11350089

IUPAC2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole
SMILESCOc1cc(F)ccc1Cc1nc(-c2nccs2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS/c1-26-18-11-15(22)5-2-13(18)10-19-24-17(20-23-8-9-27-20)12-25(19)16-6-3-14(21)4-7-16/h2-9,11-12H,10H2,1H3
InChIKeyLGVSCCFSYGHBAO-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.39
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole

2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole (PubChem CID 11350089) has the molecular formula C20H15ClFN3OS and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole
PubChem CID11350089
Molecular FormulaC20H15ClFN3OS
Molecular Weight399.88 g/mol
Exact Mass399.06
IUPAC Name2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole
SMILESCOc1cc(F)ccc1Cc1nc(-c2nccs2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS/c1-26-18-11-15(22)5-2-13(18)10-19-24-17(20-23-8-9-27-20)12-25(19)16-6-3-14(21)4-7-16/h2-9,11-12H,10H2,1H3
InChIKeyLGVSCCFSYGHBAO-UHFFFAOYSA-N
XLogP5.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole (CID 11350089) is 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole is COc1cc(F)ccc1Cc1nc(-c2nccs2)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
The InChIKey is LGVSCCFSYGHBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3OS/c1-26-18-11-15(22)5-2-13(18)10-19-24-17(20-23-8-9-27-20)12-25(19)16-6-3-14(21)4-7-16/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole has a molecular weight of 399.88 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-[(4-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 11350089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).