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

C13H14F3N3 — CID 106570963

IUPAC4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCCCn1cc(C)nc1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H14F3N3/c1-3-4-19-7-8(2)17-13(19)18-11-6-9(14)5-10(15)12(11)16/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyLIIBAKRIIPRBTF-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.76
Rot. Bonds4

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

4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570963) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570963
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine
SMILESCCCn1cc(C)nc1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H14F3N3/c1-3-4-19-7-8(2)17-13(19)18-11-6-9(14)5-10(15)12(11)16/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyLIIBAKRIIPRBTF-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.76
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-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
CID 106578797
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
CID 106571675
4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570791
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106570292
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine (CID 106570963) is 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine is CCCn1cc(C)nc1Nc1cc(F)cc(F)c1F.
What is the InChIKey of 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is LIIBAKRIIPRBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-3-4-19-7-8(2)17-13(19)18-11-6-9(14)5-10(15)12(11)16/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine?
4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 269.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).