2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide

C14H22F2N4O2 — CID 71986586

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H22F2N4O2/c1-10(13(21)18-8-11-4-3-7-22-11)19(2)9-12-17-5-6-20(12)14(15)16/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyLRADLZZITXNBGU-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.39
Rot. Bonds7

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 71986586) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID71986586
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H22F2N4O2/c1-10(13(21)18-8-11-4-3-7-22-11)19(2)9-12-17-5-6-20(12)14(15)16/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyLRADLZZITXNBGU-UHFFFAOYSA-N
XLogP1.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 71986586) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N(C)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is LRADLZZITXNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-10(13(21)18-8-11-4-3-7-22-11)19(2)9-12-17-5-6-20(12)14(15)16/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,18,21).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 316.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 71986586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).