4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine

C18H15F3N4O — CID 168629171

IUPAC4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2cccc(COc3cc(F)c(F)c(F)c3)c2)c(N)n1
InChIInChI=1S/C18H15F3N4O/c1-11-9-25(18(22)24-11)23-8-12-3-2-4-13(5-12)10-26-14-6-15(19)17(21)16(20)7-14/h2-9H,10H2,1H3,(H2,22,24)
InChIKeyLBYDWQBZWZCPFH-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.65
Rot. Bonds5

About 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168629171) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
PubChem CID168629171
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2cccc(COc3cc(F)c(F)c(F)c3)c2)c(N)n1
InChIInChI=1S/C18H15F3N4O/c1-11-9-25(18(22)24-11)23-8-12-3-2-4-13(5-12)10-26-14-6-15(19)17(21)16(20)7-14/h2-9H,10H2,1H3,(H2,22,24)
InChIKeyLBYDWQBZWZCPFH-UHFFFAOYSA-N
XLogP3.65
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163
1-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630248
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629127
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130
1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629107
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine (CID 168629171) is 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2cccc(COc3cc(F)c(F)c(F)c3)c2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is LBYDWQBZWZCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-9-25(18(22)24-11)23-8-12-3-2-4-13(5-12)10-26-14-6-15(19)17(21)16(20)7-14/h2-9H,10H2,1H3,(H2,22,24).
What are the key properties of 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 360.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).