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

C19H17F3N4O2 — CID 168629130

IUPAC4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(COc3ccc(OC(F)(F)F)cc3)cc2)c(N)n1
InChIInChI=1S/C19H17F3N4O2/c1-13-11-26(18(23)25-13)24-10-14-2-4-15(5-3-14)12-27-16-6-8-17(9-7-16)28-19(20,21)22/h2-11H,12H2,1H3,(H2,23,25)
InChIKeyFNJJQVHSMIOTHO-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.13
Rot. Bonds6

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

4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168629130) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
PubChem CID168629130
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(COc3ccc(OC(F)(F)F)cc3)cc2)c(N)n1
InChIInChI=1S/C19H17F3N4O2/c1-13-11-26(18(23)25-13)24-10-14-2-4-15(5-3-14)12-27-16-6-8-17(9-7-16)28-19(20,21)22/h2-11H,12H2,1H3,(H2,23,25)
InChIKeyFNJJQVHSMIOTHO-UHFFFAOYSA-N
XLogP4.13
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[[2-amino-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631136
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
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
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine (CID 168629130) is 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc(COc3ccc(OC(F)(F)F)cc3)cc2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is FNJJQVHSMIOTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-13-11-26(18(23)25-13)24-10-14-2-4-15(5-3-14)12-27-16-6-8-17(9-7-16)28-19(20,21)22/h2-11H,12H2,1H3,(H2,23,25).
What are the key properties of 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 390.37 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).