N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C13H17F2N3S — CID 78998229

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1nccn1C(F)F)c1cccs1
InChIInChI=1S/C13H17F2N3S/c1-13(2,10-4-3-7-19-10)9-16-8-11-17-5-6-18(11)12(14)15/h3-7,12,16H,8-9H2,1-2H3
InChIKeyIZRDEKIDEZVKNJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.41
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 78998229) has the molecular formula C13H17F2N3S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID78998229
Molecular FormulaC13H17F2N3S
Molecular Weight285.36 g/mol
Exact Mass285.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1nccn1C(F)F)c1cccs1
InChIInChI=1S/C13H17F2N3S/c1-13(2,10-4-3-7-19-10)9-16-8-11-17-5-6-18(11)12(14)15/h3-7,12,16H,8-9H2,1-2H3
InChIKeyIZRDEKIDEZVKNJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 78998229) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCc1nccn1C(F)F)c1cccs1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is IZRDEKIDEZVKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3S/c1-13(2,10-4-3-7-19-10)9-16-8-11-17-5-6-18(11)12(14)15/h3-7,12,16H,8-9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 285.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 78998229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).