3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide

C26H27ClN4O2S — CID 70942595

About 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide (PubChem CID 70942595) has the molecular formula C26H27ClN4O2S and a molecular weight of 495.05 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide
• PubChem CID: 70942595
• Molecular Formula: C26H27ClN4O2S
• Molecular Weight: 495.05 g/mol
• Exact Mass: 494.15
• IUPAC Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-n2cnc3ccc(CC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl
• InChI: InChI=1S/C26H27ClN4O2S/c1-16(19-4-2-3-5-20(19)27)33-23-14-24(34-25(23)26(28)32)31-15-30-21-7-6-18(13-22(21)31)12-17-8-10-29-11-9-17/h2-7,13-17,29H,8-12H2,1H3,(H2,28,32)
• InChIKey: VLGFPPHMGJARKH-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 82.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.05
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide?

The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide (CID 70942595) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide.

What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide?

The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide is CC(Oc1cc(-n2cnc3ccc(CC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1Cl.

What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide?

The InChIKey is VLGFPPHMGJARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2S/c1-16(19-4-2-3-5-20(19)27)33-23-14-24(34-25(23)26(28)32)31-15-30-21-7-6-18(13-22(21)31)12-17-8-10-29-11-9-17/h2-7,13-17,29H,8-12H2,1H3,(H2,28,32).

What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide?

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide has a molecular weight of 495.05 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(piperidin-4-ylmethyl)benzimidazol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70942595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).