1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

C14H14F3N3 — CID 106570549

IUPAC1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESC=CCn1ccnc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3/c1-2-8-20-9-7-18-13(20)19-10-11-5-3-4-6-12(11)14(15,16)17/h2-7,9H,1,8,10H2,(H,18,19)
InChIKeyUOUSFXWUFCCDJZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.70
Rot. Bonds5

About 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 106570549) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID106570549
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESC=CCn1ccnc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3/c1-2-8-20-9-7-18-13(20)19-10-11-5-3-4-6-12(11)14(15,16)17/h2-7,9H,1,8,10H2,(H,18,19)
InChIKeyUOUSFXWUFCCDJZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 106570549) is 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is C=CCn1ccnc1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is UOUSFXWUFCCDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-8-20-9-7-18-13(20)19-10-11-5-3-4-6-12(11)14(15,16)17/h2-7,9H,1,8,10H2,(H,18,19).
What are the key properties of 1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.70, 5 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-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 106570549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).