N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine

C13H20F3N3 — CID 106579134

IUPACN-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESCc1cn(CCCC(F)(F)F)c(NC2CCCC2)n1
InChIInChI=1S/C13H20F3N3/c1-10-9-19(8-4-7-13(14,15)16)12(17-10)18-11-5-2-3-6-11/h9,11H,2-8H2,1H3,(H,17,18)
InChIKeyOXVOQWGSGFXHNU-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.89
Rot. Bonds5

About N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine

N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine (PubChem CID 106579134) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
PubChem CID106579134
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESCc1cn(CCCC(F)(F)F)c(NC2CCCC2)n1
InChIInChI=1S/C13H20F3N3/c1-10-9-19(8-4-7-13(14,15)16)12(17-10)18-11-5-2-3-6-11/h9,11H,2-8H2,1H3,(H,17,18)
InChIKeyOXVOQWGSGFXHNU-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
N-cyclopentyl-1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
CID 106565566
N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580537
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468
N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558060
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579122
N-cyclopentyl-4-methyl-1-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579652
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568575
N-cyclopentyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582996

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine (CID 106579134) is N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine is Cc1cn(CCCC(F)(F)F)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The InChIKey is OXVOQWGSGFXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10-9-19(8-4-7-13(14,15)16)12(17-10)18-11-5-2-3-6-11/h9,11H,2-8H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine has a molecular weight of 275.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine is sourced from PubChem (CID 106579134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).