2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

C12H18F2N4O2 — CID 115641672

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1nccn1C(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C12H18F2N4O2/c1-9(11(19)17-4-6-20-7-5-17)16-8-10-15-2-3-18(10)12(13)14/h2-3,9,12,16H,4-8H2,1H3
InChIKeyHSPNGXDJBJWBBI-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.62
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115641672) has the molecular formula C12H18F2N4O2 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115641672
Molecular FormulaC12H18F2N4O2
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1nccn1C(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C12H18F2N4O2/c1-9(11(19)17-4-6-20-7-5-17)16-8-10-15-2-3-18(10)12(13)14/h2-3,9,12,16H,4-8H2,1H3
InChIKeyHSPNGXDJBJWBBI-UHFFFAOYSA-N
XLogP0.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.62
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]methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (CID 115641672) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is CC(NCc1nccn1C(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HSPNGXDJBJWBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O2/c1-9(11(19)17-4-6-20-7-5-17)16-8-10-15-2-3-18(10)12(13)14/h2-3,9,12,16H,4-8H2,1H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 288.30 g/mol, XLogP of 0.62, 5 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]methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115641672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).