5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide

C23H25ClN6O2 — CID 35523435

About 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 35523435) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
• PubChem CID: 35523435
• Molecular Formula: C23H25ClN6O2
• Molecular Weight: 452.95 g/mol
• Exact Mass: 452.17
• IUPAC Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(Cn2cc(Cl)cn2)o1
• InChI: InChI=1S/C23H25ClN6O2/c24-17-14-25-29(15-17)16-18-8-9-21(32-18)22(31)27-23-26-19-6-2-3-7-20(19)30(23)13-12-28-10-4-1-5-11-28/h2-3,6-9,14-15H,1,4-5,10-13,16H2,(H,26,27,31)
• InChIKey: CKNZAXUUOCIZHS-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 81.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.95
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide (CID 35523435) is 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(Cn2cc(Cl)cn2)o1.

What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide?

The InChIKey is CKNZAXUUOCIZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c24-17-14-25-29(15-17)16-18-8-9-21(32-18)22(31)27-23-26-19-6-2-3-7-20(19)30(23)13-12-28-10-4-1-5-11-28/h2-3,6-9,14-15H,1,4-5,10-13,16H2,(H,26,27,31).

What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide?

5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35523435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).