(3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride

C24H30ClN5O3S — CID 175107239

About (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride (PubChem CID 175107239) has the molecular formula C24H30ClN5O3S and a molecular weight of 504.06 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
• PubChem CID: 175107239
• Molecular Formula: C24H30ClN5O3S
• Molecular Weight: 504.06 g/mol
• Exact Mass: 503.18
• IUPAC Name: (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
• SMILES: COCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(OC)c3n2C)cc2ccsc21.Cl
• InChI: InChI=1S/C24H29N5O3S.ClH/c1-27-21-18(11-16(13-20(21)32-3)23(30)28-7-4-5-17(25)14-28)26-22(27)19-12-15-6-10-33-24(15)29(19)8-9-31-2;/h6,10-13,17H,4-5,7-9,14,25H2,1-3H3;1H
• InChIKey: YCXRHSXKUQFNJB-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.06
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

The IUPAC name of (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride (CID 175107239) is (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride.

What is the SMILES notation for (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

The canonical SMILES for (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride is COCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(OC)c3n2C)cc2ccsc21.Cl.

What is the InChIKey of (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

The InChIKey is YCXRHSXKUQFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S.ClH/c1-27-21-18(11-16(13-20(21)32-3)23(30)28-7-4-5-17(25)14-28)26-22(27)19-12-15-6-10-33-24(15)29(19)8-9-31-2;/h6,10-13,17H,4-5,7-9,14,25H2,1-3H3;1H.

What are the key properties of (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride?

(3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride has a molecular weight of 504.06 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 175107239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).