2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide

C23H22N4O3S — CID 51700906

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-15-24-13-21(26-22(28)12-16-9-10-19(29-2)20(11-16)30-3)27(15)23-25-18(14-31-23)17-7-5-4-6-8-17/h4-11,13-14H,12H2,1-3H3,(H,26,28)
InChIKeyVKNCESKVNQTQGY-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.50
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide (PubChem CID 51700906) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide
PubChem CID51700906
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-15-24-13-21(26-22(28)12-16-9-10-19(29-2)20(11-16)30-3)27(15)23-25-18(14-31-23)17-7-5-4-6-8-17/h4-11,13-14H,12H2,1-3H3,(H,26,28)
InChIKeyVKNCESKVNQTQGY-UHFFFAOYSA-N
XLogP4.50
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide (CID 51700906) is 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide is COc1ccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide?
The InChIKey is VKNCESKVNQTQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-24-13-21(26-22(28)12-16-9-10-19(29-2)20(11-16)30-3)27(15)23-25-18(14-31-23)17-7-5-4-6-8-17/h4-11,13-14H,12H2,1-3H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide is sourced from PubChem (CID 51700906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).