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

C10H8F3N3 — CID 106570978

IUPAC4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(F)cc(F)c2F)c(N)n1
InChIInChI=1S/C10H8F3N3/c1-5-4-16(10(14)15-5)8-3-6(11)2-7(12)9(8)13/h2-4H,1H3,(H2,14,15)
InChIKeyOVJUPINGCLLBJB-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.18
Rot. Bonds1

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

4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570978) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570978
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(-c2cc(F)cc(F)c2F)c(N)n1
InChIInChI=1S/C10H8F3N3/c1-5-4-16(10(14)15-5)8-3-6(11)2-7(12)9(8)13/h2-4H,1H3,(H2,14,15)
InChIKeyOVJUPINGCLLBJB-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (CID 106570978) is 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is Cc1cn(-c2cc(F)cc(F)c2F)c(N)n1.
What is the InChIKey of 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is OVJUPINGCLLBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-5-4-16(10(14)15-5)8-3-6(11)2-7(12)9(8)13/h2-4H,1H3,(H2,14,15).
What are the key properties of 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 227.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).