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

C14H16F3N3 — CID 106570791

IUPAC4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H16F3N3/c1-8(2)6-20-7-9(3)18-14(20)19-10-4-11(15)13(17)12(16)5-10/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyRUQLGKJEAINGDP-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.01
Rot. Bonds4

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

4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570791) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570791
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H16F3N3/c1-8(2)6-20-7-9(3)18-14(20)19-10-4-11(15)13(17)12(16)5-10/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyRUQLGKJEAINGDP-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine (CID 106570791) is 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is RUQLGKJEAINGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8(2)6-20-7-9(3)18-14(20)19-10-4-11(15)13(17)12(16)5-10/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 283.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).