(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C20H25N5O — CID 70719611

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 70719611) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 70719611
• Molecular Formula: C20H25N5O
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.21
• IUPAC Name: (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
• SMILES: CCc1[nH]nc(C(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)c1C
• InChI: InChI=1S/C20H25N5O/c1-4-15-13(3)18(24-23-15)20(26)25-10-6-8-14(11-25)19-21-16-9-5-7-12(2)17(16)22-19/h5,7,9,14H,4,6,8,10-11H2,1-3H3,(H,21,22)(H,23,24)
• InChIKey: CGLNPOJVIGYTJU-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 70719611) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)c1C.

What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is CGLNPOJVIGYTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-15-13(3)18(24-23-15)20(26)25-10-6-8-14(11-25)19-21-16-9-5-7-12(2)17(16)22-19/h5,7,9,14H,4,6,8,10-11H2,1-3H3,(H,21,22)(H,23,24).

What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70719611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).