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

C10H8F3N3 — CID 106570934

IUPACN-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCNc1nccn1-c1cc(F)cc(F)c1F
InChIInChI=1S/C10H8F3N3/c1-14-10-15-2-3-16(10)8-5-6(11)4-7(12)9(8)13/h2-5H,1H3,(H,14,15)
InChIKeyILUSIXDVXKSJGI-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.33
Rot. Bonds2

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

N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570934) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570934
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC NameN-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCNc1nccn1-c1cc(F)cc(F)c1F
InChIInChI=1S/C10H8F3N3/c1-14-10-15-2-3-16(10)8-5-6(11)4-7(12)9(8)13/h2-5H,1H3,(H,14,15)
InChIKeyILUSIXDVXKSJGI-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.33
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 N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine (CID 106570934) is N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is CNc1nccn1-c1cc(F)cc(F)c1F.
What is the InChIKey of N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is ILUSIXDVXKSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-14-10-15-2-3-16(10)8-5-6(11)4-7(12)9(8)13/h2-5H,1H3,(H,14,15).
What are the key properties of N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine?
N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 227.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).