1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide

C22H24ClN5O2 — CID 123503570

About 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide

1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide (PubChem CID 123503570) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• PubChem CID: 123503570
• Molecular Formula: C22H24ClN5O2
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.16
• IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• SMILES: O=C(NC1CCOC1)C1CCN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1
• InChI: InChI=1S/C22H24ClN5O2/c23-17-12-24-20(11-16(17)21-26-18-3-1-2-4-19(18)27-21)28-8-5-14(6-9-28)22(29)25-15-7-10-30-13-15/h1-4,11-12,14-15H,5-10,13H2,(H,25,29)(H,26,27)
• InChIKey: AQAYYFNMSWAUNJ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide (CID 123503570) is 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide is O=C(NC1CCOC1)C1CCN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1.

What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The InChIKey is AQAYYFNMSWAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-17-12-24-20(11-16(17)21-26-18-3-1-2-4-19(18)27-21)28-8-5-14(6-9-28)22(29)25-15-7-10-30-13-15/h1-4,11-12,14-15H,5-10,13H2,(H,25,29)(H,26,27).

What are the key properties of 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 123503570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).