1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide

C23H23Cl2FN4O2 — CID 67034838

About 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide

1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide (PubChem CID 67034838) has the molecular formula C23H23Cl2FN4O2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• PubChem CID: 67034838
• Molecular Formula: C23H23Cl2FN4O2
• Molecular Weight: 477.37 g/mol
• Exact Mass: 476.12
• IUPAC Name: 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• SMILES: O=C(NC1CCOC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3n2-c2ccc(F)cc2)CC1
• InChI: InChI=1S/C23H23Cl2FN4O2/c24-18-11-20-21(12-19(18)25)30(17-3-1-15(26)2-4-17)23(28-20)29-8-5-14(6-9-29)22(31)27-16-7-10-32-13-16/h1-4,11-12,14,16H,5-10,13H2,(H,27,31)
• InChIKey: MULVILUPCZHFFE-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.37
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide (CID 67034838) is 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide is O=C(NC1CCOC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3n2-c2ccc(F)cc2)CC1.

What is the InChIKey of 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The InChIKey is MULVILUPCZHFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O2/c24-18-11-20-21(12-19(18)25)30(17-3-1-15(26)2-4-17)23(28-20)29-8-5-14(6-9-29)22(31)27-16-7-10-32-13-16/h1-4,11-12,14,16H,5-10,13H2,(H,27,31).

What are the key properties of 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide has a molecular weight of 477.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67034838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).