[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

C26H20N4O4S — CID 23859888

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (PubChem CID 23859888) has the molecular formula C26H20N4O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.

Molecular Properties

• Compound Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
• PubChem CID: 23859888
• Molecular Formula: C26H20N4O4S
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.12
• IUPAC Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
• SMILES: COc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3-c3nc4ccccc4[nH]3)n2)cc1
• InChI: InChI=1S/C26H20N4O4S/c1-33-17-12-10-16(11-13-17)22-15-35-26(29-22)30-23(31)14-34-25(32)19-7-3-2-6-18(19)24-27-20-8-4-5-9-21(20)28-24/h2-13,15H,14H2,1H3,(H,27,28)(H,29,30,31)
• InChIKey: PMXVUXZGQUVAGX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (CID 23859888) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.

What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is COc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3-c3nc4ccccc4[nH]3)n2)cc1.

What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

The InChIKey is PMXVUXZGQUVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4S/c1-33-17-12-10-16(11-13-17)22-15-35-26(29-22)30-23(31)14-34-25(32)19-7-3-2-6-18(19)24-27-20-8-4-5-9-21(20)28-24/h2-13,15H,14H2,1H3,(H,27,28)(H,29,30,31).

What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate has a molecular weight of 484.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 23859888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).