N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

C21H26F6N4O6S — CID 118746016

About N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746016) has the molecular formula C21H26F6N4O6S and a molecular weight of 576.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746016
• Molecular Formula: C21H26F6N4O6S
• Molecular Weight: 576.52 g/mol
• Exact Mass: 576.15
• IUPAC Name: N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN(C)C(=O)COCC1CN(Cc2cccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H24N4O2S.2C2HF3O2/c1-19(2)16(22)11-23-10-13-7-21(8-14-5-4-6-24-14)9-15-17(13)20(3)12-18-15;2*3-2(4,5)1(6)7/h4-6,12-13H,7-11H2,1-3H3;2*(H,6,7)
• InChIKey: MZZAUASBHKAUKK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 125.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.52
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 118746016) is N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)COCC1CN(Cc2cccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is MZZAUASBHKAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.2C2HF3O2/c1-19(2)16(22)11-23-10-13-7-21(8-14-5-4-6-24-14)9-15-17(13)20(3)12-18-15;2*3-2(4,5)1(6)7/h4-6,12-13H,7-11H2,1-3H3;2*(H,6,7).

What are the key properties of N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?

N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 576.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).