[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone

C23H25N5O2 — CID 91946694

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone (PubChem CID 91946694) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
• PubChem CID: 91946694
• Molecular Formula: C23H25N5O2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.20
• IUPAC Name: [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
• SMILES: Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)o2)n1
• InChI: InChI=1S/C23H25N5O2/c1-15-12-16(2)28(26-15)14-18-9-10-21(30-18)23(29)27-11-5-6-17(13-27)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,24,25)
• InChIKey: DCLHIKDGQZCGQL-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 79.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?

The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone (CID 91946694) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone.

What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?

The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone is Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)o2)n1.

What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?

The InChIKey is DCLHIKDGQZCGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-12-16(2)28(26-15)14-18-9-10-21(30-18)23(29)27-11-5-6-17(13-27)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,24,25).

What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone has a molecular weight of 403.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 91946694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).