N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine

C20H22BrN3O3S — CID 55831225

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 55831225) has the molecular formula C20H22BrN3O3S and a molecular weight of 464.39 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

• Compound Name: N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
• PubChem CID: 55831225
• Molecular Formula: C20H22BrN3O3S
• Molecular Weight: 464.39 g/mol
• Exact Mass: 463.06
• IUPAC Name: N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
• SMILES: COc1ccc(CN(Cc2cn3cc(Br)ccc3n2)C2CCS(=O)(=O)C2)cc1
• InChI: InChI=1S/C20H22BrN3O3S/c1-27-19-5-2-15(3-6-19)10-23(18-8-9-28(25,26)14-18)12-17-13-24-11-16(21)4-7-20(24)22-17/h2-7,11,13,18H,8-10,12,14H2,1H3
• InChIKey: AQAHKRLMAFMJHN-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.39
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine?

The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine (CID 55831225) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine.

What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine?

The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine is COc1ccc(CN(Cc2cn3cc(Br)ccc3n2)C2CCS(=O)(=O)C2)cc1.

What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine?

The InChIKey is AQAHKRLMAFMJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3S/c1-27-19-5-2-15(3-6-19)10-23(18-8-9-28(25,26)14-18)12-17-13-24-11-16(21)4-7-20(24)22-17/h2-7,11,13,18H,8-10,12,14H2,1H3.

What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine?

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 464.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55831225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).