N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine

C13H12F3N3 — CID 106570979

IUPACN-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(F)cc(F)c2F)c(NC2CC2)n1
InChIInChI=1S/C13H12F3N3/c1-7-6-19(13(17-7)18-9-2-3-9)11-5-8(14)4-10(15)12(11)16/h4-6,9H,2-3H2,1H3,(H,17,18)
InChIKeyAMPDWMJRGDVGLL-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.17
Rot. Bonds3

About N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine

N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570979) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570979
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(F)cc(F)c2F)c(NC2CC2)n1
InChIInChI=1S/C13H12F3N3/c1-7-6-19(13(17-7)18-9-2-3-9)11-5-8(14)4-10(15)12(11)16/h4-6,9H,2-3H2,1H3,(H,17,18)
InChIKeyAMPDWMJRGDVGLL-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570956
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570978
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106574055
N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
CID 106562841

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (CID 106570979) is N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is Cc1cn(-c2cc(F)cc(F)c2F)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is AMPDWMJRGDVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-7-6-19(13(17-7)18-9-2-3-9)11-5-8(14)4-10(15)12(11)16/h4-6,9H,2-3H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.17, 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-(2,3,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).