2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C21H22Cl2N4O2 — CID 21428849

About 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 21428849) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
• PubChem CID: 21428849
• Molecular Formula: C21H22Cl2N4O2
• Molecular Weight: 433.34 g/mol
• Exact Mass: 432.11
• IUPAC Name: 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
• SMILES: O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C21H22Cl2N4O2/c22-14-5-6-17(23)16(13-14)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)
• InChIKey: ZQUWKXRUYCDHOF-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 70.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.34
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

The IUPAC name of 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 21428849) is 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

What is the SMILES notation for 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

The canonical SMILES for 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Cl)ccc1Cl.

What is the InChIKey of 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

The InChIKey is ZQUWKXRUYCDHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c22-14-5-6-17(23)16(13-14)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29).

What are the key properties of 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?

2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 433.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 21428849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).