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

C21H27N5O — CID 70737912

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

[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 70737912) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
• PubChem CID: 70737912
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
• SMILES: Cc1cccc2[nH]c(C3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)nc12
• InChI: InChI=1S/C21H27N5O/c1-13(2)17-11-18(25(4)24-17)21(27)26-10-6-8-15(12-26)20-22-16-9-5-7-14(3)19(16)23-20/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,22,23)
• InChIKey: CIEJXTQYIAFRFR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 70737912) is [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

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

The canonical SMILES for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is Cc1cccc2[nH]c(C3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)nc12.

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

The InChIKey is CIEJXTQYIAFRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-13(2)17-11-18(25(4)24-17)21(27)26-10-6-8-15(12-26)20-22-16-9-5-7-14(3)19(16)23-20/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,22,23).

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

[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 70737912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).