2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C16H27F2N5O2 — CID 60500394

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCN(CC(=O)NCC(C)(C)N1CCOCC1)Cc1nccn1C(F)F
InChIInChI=1S/C16H27F2N5O2/c1-16(2,22-6-8-25-9-7-22)12-20-14(24)11-21(3)10-13-19-4-5-23(13)15(17)18/h4-5,15H,6-12H2,1-3H3,(H,20,24)
InChIKeyFPKKBDCUDINWLP-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.94
Rot. Bonds8

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 60500394) has the molecular formula C16H27F2N5O2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID60500394
Molecular FormulaC16H27F2N5O2
Molecular Weight359.42 g/mol
Exact Mass359.21
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCN(CC(=O)NCC(C)(C)N1CCOCC1)Cc1nccn1C(F)F
InChIInChI=1S/C16H27F2N5O2/c1-16(2,22-6-8-25-9-7-22)12-20-14(24)11-21(3)10-13-19-4-5-23(13)15(17)18/h4-5,15H,6-12H2,1-3H3,(H,20,24)
InChIKeyFPKKBDCUDINWLP-UHFFFAOYSA-N
XLogP0.94
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 60500394) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CN(CC(=O)NCC(C)(C)N1CCOCC1)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is FPKKBDCUDINWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N5O2/c1-16(2,22-6-8-25-9-7-22)12-20-14(24)11-21(3)10-13-19-4-5-23(13)15(17)18/h4-5,15H,6-12H2,1-3H3,(H,20,24).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 359.42 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 60500394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).