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

C30H29ClN6O2S — CID 69088284

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

5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 69088284) has the molecular formula C30H29ClN6O2S and a molecular weight of 573.12 g/mol. Its IUPAC name is 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
• PubChem CID: 69088284
• Molecular Formula: C30H29ClN6O2S
• Molecular Weight: 573.12 g/mol
• Exact Mass: 572.18
• IUPAC Name: 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-n2cnc3cc(-c4ccc(N5CCC(N)CC5)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl
• InChI: InChI=1S/C30H29ClN6O2S/c1-18(22-4-2-3-5-23(22)31)39-26-15-28(40-29(26)30(33)38)37-17-35-24-14-19(6-8-25(24)37)20-7-9-27(34-16-20)36-12-10-21(32)11-13-36/h2-9,14-18,21H,10-13,32H2,1H3,(H2,33,38)
• InChIKey: FQXXBYOLFLIMQR-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 112.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.12
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 69088284) is 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

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

The canonical SMILES for 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-n2cnc3cc(-c4ccc(N5CCC(N)CC5)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl.

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

The InChIKey is FQXXBYOLFLIMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O2S/c1-18(22-4-2-3-5-23(22)31)39-26-15-28(40-29(26)30(33)38)37-17-35-24-14-19(6-8-25(24)37)20-7-9-27(34-16-20)36-12-10-21(32)11-13-36/h2-9,14-18,21H,10-13,32H2,1H3,(H2,33,38).

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

5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 573.12 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 69088284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).