4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine

C12H11F3N4O — CID 168628572

IUPAC4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OC(F)(F)F)c2)c(N)n1
InChIInChI=1S/C12H11F3N4O/c1-8-7-19(11(16)18-8)17-6-9-3-2-4-10(5-9)20-12(13,14)15/h2-7H,1H3,(H2,16,18)
InChIKeyKMCJTYFCOWZECP-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.55
Rot. Bonds3

About 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168628572) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
PubChem CID168628572
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OC(F)(F)F)c2)c(N)n1
InChIInChI=1S/C12H11F3N4O/c1-8-7-19(11(16)18-8)17-6-9-3-2-4-10(5-9)20-12(13,14)15/h2-7H,1H3,(H2,16,18)
InChIKeyKMCJTYFCOWZECP-UHFFFAOYSA-N
XLogP2.55
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-amino-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631136
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628638
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993
1-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630248
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
CID 168629485
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine (CID 168628572) is 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2cccc(OC(F)(F)F)c2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is KMCJTYFCOWZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-8-7-19(11(16)18-8)17-6-9-3-2-4-10(5-9)20-12(13,14)15/h2-7H,1H3,(H2,16,18).
What are the key properties of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 284.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168628572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).