2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide

C21H19ClN4O2S — CID 10071153

About 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide

2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide (PubChem CID 10071153) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide
• PubChem CID: 10071153
• Molecular Formula: C21H19ClN4O2S
• Molecular Weight: 426.93 g/mol
• Exact Mass: 426.09
• IUPAC Name: 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide
• SMILES: CC(C)C(O)(C(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1cccc(Cl)c1
• InChI: InChI=1S/C21H19ClN4O2S/c1-12(2)21(28,13-4-3-5-14(22)8-13)20(27)24-15-6-7-16-17(9-15)26-19(25-16)18-10-29-11-23-18/h3-12,28H,1-2H3,(H,24,27)(H,25,26)
• InChIKey: FFFSMKXBXXWWDJ-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.93
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide?

The IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide (CID 10071153) is 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide.

What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide?

The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide is CC(C)C(O)(C(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1cccc(Cl)c1.

What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide?

The InChIKey is FFFSMKXBXXWWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-12(2)21(28,13-4-3-5-14(22)8-13)20(27)24-15-6-7-16-17(9-15)26-19(25-16)18-10-29-11-23-18/h3-12,28H,1-2H3,(H,24,27)(H,25,26).

What are the key properties of 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide?

2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide has a molecular weight of 426.93 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-2-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]butanamide is sourced from PubChem (CID 10071153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).