N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine

C9H12F3N3 — CID 106558060

IUPACN-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCc1cn(CC(F)(F)F)c(NC2CC2)n1
InChIInChI=1S/C9H12F3N3/c1-6-4-15(5-9(10,11)12)8(13-6)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,14)
InChIKeyFPKBUQCOOKBVKS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.33
Rot. Bonds3

About N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine

N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine (PubChem CID 106558060) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
PubChem CID106558060
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCc1cn(CC(F)(F)F)c(NC2CC2)n1
InChIInChI=1S/C9H12F3N3/c1-6-4-15(5-9(10,11)12)8(13-6)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,14)
InChIKeyFPKBUQCOOKBVKS-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579134
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
CID 106580084
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
CID 106574619
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclopropyl-1-[2-[ethyl(methyl)amino]ethyl]-4-methylimidazol-2-amine
CID 106570435
N-cyclopropyl-4-methyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
CID 106579724
1-(2-methoxyethyl)-4-methyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560145
1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106575435
4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582146
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine (CID 106558060) is N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine is Cc1cn(CC(F)(F)F)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The InChIKey is FPKBUQCOOKBVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-4-15(5-9(10,11)12)8(13-6)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine has a molecular weight of 219.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine is sourced from PubChem (CID 106558060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).