2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C14H22F2N4O2 — CID 60500295

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(C)Cc2nccn2C(F)F)CC(C)O1
InChIInChI=1S/C14H22F2N4O2/c1-10-6-19(7-11(2)22-10)13(21)9-18(3)8-12-17-4-5-20(12)14(15)16/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyVNAKVLGVWGJTGS-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.35
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 60500295) 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]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID60500295
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(C)Cc2nccn2C(F)F)CC(C)O1
InChIInChI=1S/C14H22F2N4O2/c1-10-6-19(7-11(2)22-10)13(21)9-18(3)8-12-17-4-5-20(12)14(15)16/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyVNAKVLGVWGJTGS-UHFFFAOYSA-N
XLogP1.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
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]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 60500295) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN(C)Cc2nccn2C(F)F)CC(C)O1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is VNAKVLGVWGJTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-10-6-19(7-11(2)22-10)13(21)9-18(3)8-12-17-4-5-20(12)14(15)16/h4-5,10-11,14H,6-9H2,1-3H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 316.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 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]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 60500295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).