1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine

C18H15F3N4O — CID 168629163

IUPAC1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(OCc3cc(F)cc(F)c3)c(F)c2)c(N)n1
InChIInChI=1S/C18H15F3N4O/c1-11-9-25(18(22)24-11)23-8-12-2-3-17(16(21)6-12)26-10-13-4-14(19)7-15(20)5-13/h2-9H,10H2,1H3,(H2,22,24)
InChIKeyDCTAFLMYWNXLHF-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.65
Rot. Bonds5

About 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629163) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629163
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(OCc3cc(F)cc(F)c3)c(F)c2)c(N)n1
InChIInChI=1S/C18H15F3N4O/c1-11-9-25(18(22)24-11)23-8-12-2-3-17(16(21)6-12)26-10-13-4-14(19)7-15(20)5-13/h2-9H,10H2,1H3,(H2,22,24)
InChIKeyDCTAFLMYWNXLHF-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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-phenylmethoxybenzoic acid
CID 168629671
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629035
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629407
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630181

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629163) is 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(OCc3cc(F)cc(F)c3)c(F)c2)c(N)n1.
What is the InChIKey of 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is DCTAFLMYWNXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-9-25(18(22)24-11)23-8-12-2-3-17(16(21)6-12)26-10-13-4-14(19)7-15(20)5-13/h2-9H,10H2,1H3,(H2,22,24).
What are the key properties of 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-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 1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).