2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

C20H24N6O2 — CID 95721250

About 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (PubChem CID 95721250) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
• PubChem CID: 95721250
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
• SMILES: Cc1ccc2nc(COCC(=O)N[C@H]3CCCN(c4ncccn4)C3)[nH]c2c1
• InChI: InChI=1S/C20H24N6O2/c1-14-5-6-16-17(10-14)25-18(24-16)12-28-13-19(27)23-15-4-2-9-26(11-15)20-21-7-3-8-22-20/h3,5-8,10,15H,2,4,9,11-13H2,1H3,(H,23,27)(H,24,25)/t15-/m0/s1
• InChIKey: JVLGYTGVLADWAD-HNNXBMFYSA-N
• XLogP: 1.96
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?

The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (CID 95721250) is 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?

The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is Cc1ccc2nc(COCC(=O)N[C@H]3CCCN(c4ncccn4)C3)[nH]c2c1.

What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?

The InChIKey is JVLGYTGVLADWAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-5-6-16-17(10-14)25-18(24-16)12-28-13-19(27)23-15-4-2-9-26(11-15)20-21-7-3-8-22-20/h3,5-8,10,15H,2,4,9,11-13H2,1H3,(H,23,27)(H,24,25)/t15-/m0/s1.

What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?

2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 95721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).