N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C23H29N3O2S — CID 2673867

About N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2673867) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• PubChem CID: 2673867
• Molecular Formula: C23H29N3O2S
• Molecular Weight: 411.57 g/mol
• Exact Mass: 411.20
• IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• SMILES: CSCC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H29N3O2S/c1-15(2)17-10-9-16(3)13-21(17)28-14-22(27)24-20(11-12-29-4)23-25-18-7-5-6-8-19(18)26-23/h5-10,13,15,20H,11-12,14H2,1-4H3,(H,24,27)(H,25,26)/t20-/m1/s1
• InChIKey: HMHQPHCJWOIIIS-HXUWFJFHSA-N
• XLogP: 4.98
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.57
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2673867) is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CSCC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The InChIKey is HMHQPHCJWOIIIS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-15(2)17-10-9-16(3)13-21(17)28-14-22(27)24-20(11-12-29-4)23-25-18-7-5-6-8-19(18)26-23/h5-10,13,15,20H,11-12,14H2,1-4H3,(H,24,27)(H,25,26)/t20-/m1/s1.

What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 411.57 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2673867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).