2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole

C20H15ClFN3OS — CID 11315544

IUPAC2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole
SMILESCOc1ccc(F)cc1Cc1nc(-c2nccs2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS/c1-26-18-7-4-15(22)10-13(18)11-19-24-17(20-23-8-9-27-20)12-25(19)16-5-2-14(21)3-6-16/h2-10,12H,11H2,1H3
InChIKeyMVQQUKGUQGADCS-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.39
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole

2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole (PubChem CID 11315544) has the molecular formula C20H15ClFN3OS and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole
PubChem CID11315544
Molecular FormulaC20H15ClFN3OS
Molecular Weight399.88 g/mol
Exact Mass399.06
IUPAC Name2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole
SMILESCOc1ccc(F)cc1Cc1nc(-c2nccs2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS/c1-26-18-7-4-15(22)10-13(18)11-19-24-17(20-23-8-9-27-20)12-25(19)16-5-2-14(21)3-6-16/h2-10,12H,11H2,1H3
InChIKeyMVQQUKGUQGADCS-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

Analyze 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole (CID 11315544) is 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole is COc1ccc(F)cc1Cc1nc(-c2nccs2)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
The InChIKey is MVQQUKGUQGADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3OS/c1-26-18-7-4-15(22)10-13(18)11-19-24-17(20-23-8-9-27-20)12-25(19)16-5-2-14(21)3-6-16/h2-10,12H,11H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole?
2-[1-(4-chlorophenyl)-2-[(5-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-[(5-fluoro-2-methoxyphenyl)methyl]imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 11315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).