1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine

C12H10F3N3 — CID 106570738

IUPAC1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
SMILESC=CCn1ccnc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C12H10F3N3/c1-2-4-18-5-3-16-12(18)17-11-7-9(14)8(13)6-10(11)15/h2-3,5-7H,1,4H2,(H,16,17)
InChIKeyIAHTZOOFNDQUGP-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.23
Rot. Bonds4

About 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine

1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570738) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570738
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
SMILESC=CCn1ccnc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C12H10F3N3/c1-2-4-18-5-3-16-12(18)17-11-7-9(14)8(13)6-10(11)15/h2-3,5-7H,1,4H2,(H,16,17)
InChIKeyIAHTZOOFNDQUGP-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine (CID 106570738) is 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine is C=CCn1ccnc1Nc1cc(F)c(F)cc1F.
What is the InChIKey of 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is IAHTZOOFNDQUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-2-4-18-5-3-16-12(18)17-11-7-9(14)8(13)6-10(11)15/h2-3,5-7H,1,4H2,(H,16,17).
What are the key properties of 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).