N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine

C13H14F3N3 — CID 106556796

IUPACN-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESCCCCNc1nccn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3/c1-2-3-6-17-13-18-7-8-19(13)10-5-4-9(14)11(15)12(10)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyPWEQWDREJVACAK-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.50
Rot. Bonds5

About N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine

N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine (PubChem CID 106556796) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
PubChem CID106556796
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESCCCCNc1nccn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3/c1-2-3-6-17-13-18-7-8-19(13)10-5-4-9(14)11(15)12(10)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyPWEQWDREJVACAK-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556824
1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
CID 107590771
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-butyl-1-hexylimidazol-2-amine
CID 106573794

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine (CID 106556796) is N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine is CCCCNc1nccn1-c1ccc(F)c(F)c1F.
What is the InChIKey of N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The InChIKey is PWEQWDREJVACAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-3-6-17-13-18-7-8-19(13)10-5-4-9(14)11(15)12(10)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine has a molecular weight of 269.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106556796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).