2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide

C26H25Cl2N5O3 — CID 175549230

About 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide

2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide (PubChem CID 175549230) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide
• PubChem CID: 175549230
• Molecular Formula: C26H25Cl2N5O3
• Molecular Weight: 526.42 g/mol
• Exact Mass: 525.13
• IUPAC Name: 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide
• SMILES: CCOc1ncccc1-c1cccc2c1[nH]c(=O)n2C1CCN(C(N)=O)C(c2ccc(Cl)c(Cl)c2)C1
• InChI: InChI=1S/C26H25Cl2N5O3/c1-2-36-24-18(6-4-11-30-24)17-5-3-7-21-23(17)31-26(35)33(21)16-10-12-32(25(29)34)22(14-16)15-8-9-19(27)20(28)13-15/h3-9,11,13,16,22H,2,10,12,14H2,1H3,(H2,29,34)(H,31,35)
• InChIKey: RJTLCAMCFQLLNY-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 106.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.42
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide?

The IUPAC name of 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide (CID 175549230) is 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide.

What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide?

The canonical SMILES for 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide is CCOc1ncccc1-c1cccc2c1[nH]c(=O)n2C1CCN(C(N)=O)C(c2ccc(Cl)c(Cl)c2)C1.

What is the InChIKey of 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide?

The InChIKey is RJTLCAMCFQLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-2-36-24-18(6-4-11-30-24)17-5-3-7-21-23(17)31-26(35)33(21)16-10-12-32(25(29)34)22(14-16)15-8-9-19(27)20(28)13-15/h3-9,11,13,16,22H,2,10,12,14H2,1H3,(H2,29,34)(H,31,35).

What are the key properties of 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide?

2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide has a molecular weight of 526.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 175549230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).