2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide

C14H23F2N5O2 — CID 87013866

IUPAC2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H23F2N5O2/c1-4-5-18-12(22)9-20(3)13(23)10-19(2)8-11-17-6-7-21(11)14(15)16/h6-7,14H,4-5,8-10H2,1-3H3,(H,18,22)
InChIKeyIXDSIXUYEOFONZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.69
Rot. Bonds9

About 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide

2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide (PubChem CID 87013866) has the molecular formula C14H23F2N5O2 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
PubChem CID87013866
Molecular FormulaC14H23F2N5O2
Molecular Weight331.37 g/mol
Exact Mass331.18
IUPAC Name2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H23F2N5O2/c1-4-5-18-12(22)9-20(3)13(23)10-19(2)8-11-17-6-7-21(11)14(15)16/h6-7,14H,4-5,8-10H2,1-3H3,(H,18,22)
InChIKeyIXDSIXUYEOFONZ-UHFFFAOYSA-N
XLogP0.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide (CID 87013866) is 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CN(C)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
The InChIKey is IXDSIXUYEOFONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N5O2/c1-4-5-18-12(22)9-20(3)13(23)10-19(2)8-11-17-6-7-21(11)14(15)16/h6-7,14H,4-5,8-10H2,1-3H3,(H,18,22).
What are the key properties of 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide has a molecular weight of 331.37 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 87013866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).