2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide

C14H24F2N4O — CID 60500199

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H24F2N4O/c1-4-7-19(8-5-2)13(21)11-18(3)10-12-17-6-9-20(12)14(15)16/h6,9,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyCZXIXYHXACGDDZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.36
Rot. Bonds9

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide (PubChem CID 60500199) has the molecular formula C14H24F2N4O and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide
PubChem CID60500199
Molecular FormulaC14H24F2N4O
Molecular Weight302.37 g/mol
Exact Mass302.19
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H24F2N4O/c1-4-7-19(8-5-2)13(21)11-18(3)10-12-17-6-9-20(12)14(15)16/h6,9,14H,4-5,7-8,10-11H2,1-3H3
InChIKeyCZXIXYHXACGDDZ-UHFFFAOYSA-N
XLogP2.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide (CID 60500199) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide?
The InChIKey is CZXIXYHXACGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4O/c1-4-7-19(8-5-2)13(21)11-18(3)10-12-17-6-9-20(12)14(15)16/h6,9,14H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide has a molecular weight of 302.37 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N,N-dipropylacetamide is sourced from PubChem (CID 60500199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).