[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C22H32N4OS — CID 72854115

About [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 72854115) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

• Compound Name: [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
• PubChem CID: 72854115
• Molecular Formula: C22H32N4OS
• Molecular Weight: 400.59 g/mol
• Exact Mass: 400.23
• IUPAC Name: [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
• SMILES: CN(C)CCCn1ccnc1C1CCCN(C(=O)c2csc3c2CCCC3)C1
• InChI: InChI=1S/C22H32N4OS/c1-24(2)11-6-13-25-14-10-23-21(25)17-7-5-12-26(15-17)22(27)19-16-28-20-9-4-3-8-18(19)20/h10,14,16-17H,3-9,11-13,15H2,1-2H3
• InChIKey: MJWCKBIMVXOQGT-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 41.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.59
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

The IUPAC name of [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 72854115) is [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

What is the SMILES notation for [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

The canonical SMILES for [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is CN(C)CCCn1ccnc1C1CCCN(C(=O)c2csc3c2CCCC3)C1.

What is the InChIKey of [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

The InChIKey is MJWCKBIMVXOQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-24(2)11-6-13-25-14-10-23-21(25)17-7-5-12-26(15-17)22(27)19-16-28-20-9-4-3-8-18(19)20/h10,14,16-17H,3-9,11-13,15H2,1-2H3.

What are the key properties of [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?

[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 400.59 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 72854115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).