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

C12H10F3N3 — CID 106556824

IUPACN-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C12H10F3N3/c1-2-5-16-12-17-6-7-18(12)9-4-3-8(13)10(14)11(9)15/h2-4,6-7H,1,5H2,(H,16,17)
InChIKeyRXJLLYZFDHDZHX-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.89
Rot. Bonds4

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

N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine (PubChem CID 106556824) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
PubChem CID106556824
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C12H10F3N3/c1-2-5-16-12-17-6-7-18(12)9-4-3-8(13)10(14)11(9)15/h2-4,6-7H,1,5H2,(H,16,17)
InChIKeyRXJLLYZFDHDZHX-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
CID 106576416
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556180
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
CID 106558616
1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106571459
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2-fluoro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114254445
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The IUPAC name of N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine (CID 106556824) is N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine is C=CCNc1nccn1-c1ccc(F)c(F)c1F.
What is the InChIKey of N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
The InChIKey is RXJLLYZFDHDZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-2-5-16-12-17-6-7-18(12)9-4-3-8(13)10(14)11(9)15/h2-4,6-7H,1,5H2,(H,16,17).
What are the key properties of N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine?
N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine has a molecular weight of 253.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106556824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).