N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C18H25N5O3 — CID 95728846

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95728846) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
• PubChem CID: 95728846
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
• SMILES: COc1ccc2nc(CNC(=O)C[C@@H]3C(=O)NCCN3C(C)C)[nH]c2c1
• InChI: InChI=1S/C18H25N5O3/c1-11(2)23-7-6-19-18(25)15(23)9-17(24)20-10-16-21-13-5-4-12(26-3)8-14(13)22-16/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,25)(H,20,24)(H,21,22)/t15-/m1/s1
• InChIKey: MUFTZHLSAGOZAL-OAHLLOKOSA-N
• XLogP: 0.79
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?

The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95728846) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?

The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is COc1ccc2nc(CNC(=O)C[C@@H]3C(=O)NCCN3C(C)C)[nH]c2c1.

What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?

The InChIKey is MUFTZHLSAGOZAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11(2)23-7-6-19-18(25)15(23)9-17(24)20-10-16-21-13-5-4-12(26-3)8-14(13)22-16/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,25)(H,20,24)(H,21,22)/t15-/m1/s1.

What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).