1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine

C21H24F2N4S — CID 139729918

About 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine

1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 139729918) has the molecular formula C21H24F2N4S and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine
• PubChem CID: 139729918
• Molecular Formula: C21H24F2N4S
• Molecular Weight: 402.51 g/mol
• Exact Mass: 402.17
• IUPAC Name: 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine
• SMILES: CC(C)c1nc(CN(C)C)n(Cc2cccnc2)c1Sc1cc(F)cc(F)c1
• InChI: InChI=1S/C21H24F2N4S/c1-14(2)20-21(28-18-9-16(22)8-17(23)10-18)27(19(25-20)13-26(3)4)12-15-6-5-7-24-11-15/h5-11,14H,12-13H2,1-4H3
• InChIKey: HQAKBDOCRTZCPN-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 33.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.51
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine (CID 139729918) is 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine is CC(C)c1nc(CN(C)C)n(Cc2cccnc2)c1Sc1cc(F)cc(F)c1.

What is the InChIKey of 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine?

The InChIKey is HQAKBDOCRTZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4S/c1-14(2)20-21(28-18-9-16(22)8-17(23)10-18)27(19(25-20)13-26(3)4)12-15-6-5-7-24-11-15/h5-11,14H,12-13H2,1-4H3.

What are the key properties of 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine?

1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 402.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 139729918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).