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

C13H12F3N3 — CID 106556180

IUPACN-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESC=CCNc1nccn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3/c1-2-7-17-12-18-8-9-19(12)11-6-4-3-5-10(11)13(14,15)16/h2-6,8-9H,1,7H2,(H,17,18)
InChIKeyDBZFMVQSADEUSX-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.49
Rot. Bonds4

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

N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 106556180) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID106556180
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESC=CCNc1nccn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3/c1-2-7-17-12-18-8-9-19(12)11-6-4-3-5-10(11)13(14,15)16/h2-6,8-9H,1,7H2,(H,17,18)
InChIKeyDBZFMVQSADEUSX-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556165
N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556824
1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
CID 106576416
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-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1-[2-(trifluoromethyl)phenyl]imidazole-2-carboxamide
CID 122514217
1-(2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106560588
1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
CID 106562783
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine (CID 106556180) is N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine is C=CCNc1nccn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is DBZFMVQSADEUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-2-7-17-12-18-8-9-19(12)11-6-4-3-5-10(11)13(14,15)16/h2-6,8-9H,1,7H2,(H,17,18).
What are the key properties of N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.49, 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-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 106556180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).