N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

C24H26ClN5O — CID 124843512

About N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 124843512) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
• PubChem CID: 124843512
• Molecular Formula: C24H26ClN5O
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.18
• IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
• SMILES: Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C24H26ClN5O/c1-14(2)12-21(24-27-19-6-4-5-7-20(19)28-24)26-22(31)13-18-15(3)29-30-23(18)16-8-10-17(25)11-9-16/h4-11,14,21H,12-13H2,1-3H3,(H,26,31)(H,27,28)(H,29,30)/t21-/m1/s1
• InChIKey: DVXQKLKKEXAAOH-OAQYLSRUSA-N
• XLogP: 5.36
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?

The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (CID 124843512) is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?

The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?

The InChIKey is DVXQKLKKEXAAOH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-14(2)12-21(24-27-19-6-4-5-7-20(19)28-24)26-22(31)13-18-15(3)29-30-23(18)16-8-10-17(25)11-9-16/h4-11,14,21H,12-13H2,1-3H3,(H,26,31)(H,27,28)(H,29,30)/t21-/m1/s1.

What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 435.96 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 124843512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).