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

C13H14F3N3 — CID 106570956

IUPAC4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(F)cc(F)c2F)c(NC(C)C)n1
InChIInChI=1S/C13H14F3N3/c1-7(2)17-13-18-8(3)6-19(13)11-5-9(14)4-10(15)12(11)16/h4-7H,1-3H3,(H,17,18)
InChIKeyFKYQIPNFWNPCPJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.42
Rot. Bonds3

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

4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570956) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570956
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(F)cc(F)c2F)c(NC(C)C)n1
InChIInChI=1S/C13H14F3N3/c1-7(2)17-13-18-8(3)6-19(13)11-5-9(14)4-10(15)12(11)16/h4-7H,1-3H3,(H,17,18)
InChIKeyFKYQIPNFWNPCPJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.42
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

N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570978
4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
CID 106556563
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106583328
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932
N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570934
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995
1-(2-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106561052
1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106583054
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (CID 106570956) is 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is Cc1cn(-c2cc(F)cc(F)c2F)c(NC(C)C)n1.
What is the InChIKey of 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is FKYQIPNFWNPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-7(2)17-13-18-8(3)6-19(13)11-5-9(14)4-10(15)12(11)16/h4-7H,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 269.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).