N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine

C10H12F3N3 — CID 162604699

IUPACN-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine
SMILESC=Cc1nc(C(F)(F)F)n(C)c1N=CCC
InChIInChI=1S/C10H12F3N3/c1-4-6-14-8-7(5-2)15-9(16(8)3)10(11,12)13/h5-6H,2,4H2,1,3H3
InChIKeyTXOYRKRUYRHADT-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.19
Rot. Bonds3

About N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine

N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine (PubChem CID 162604699) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine.

Molecular Properties

Compound NameN-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine
PubChem CID162604699
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine
SMILESC=Cc1nc(C(F)(F)F)n(C)c1N=CCC
InChIInChI=1S/C10H12F3N3/c1-4-6-14-8-7(5-2)15-9(16(8)3)10(11,12)13/h5-6H,2,4H2,1,3H3
InChIKeyTXOYRKRUYRHADT-UHFFFAOYSA-N
XLogP3.19
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine?
The IUPAC name of N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine (CID 162604699) is N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine.
What is the SMILES notation for N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine?
The canonical SMILES for N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine is C=Cc1nc(C(F)(F)F)n(C)c1N=CCC.
What is the InChIKey of N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine?
The InChIKey is TXOYRKRUYRHADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-4-6-14-8-7(5-2)15-9(16(8)3)10(11,12)13/h5-6H,2,4H2,1,3H3.
What are the key properties of N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine?
N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine has a molecular weight of 231.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethenyl-3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-imine is sourced from PubChem (CID 162604699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).