1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

C18H17FN4O — CID 168630092

IUPAC1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OCc3ccccc3F)c2)c(N)n1
InChIInChI=1S/C18H17FN4O/c1-13-11-23(18(20)22-13)21-10-14-5-4-7-16(9-14)24-12-15-6-2-3-8-17(15)19/h2-11H,12H2,1H3,(H2,20,22)
InChIKeyIBXPAUIRMDYAQJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.37
Rot. Bonds5

About 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630092) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630092
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OCc3ccccc3F)c2)c(N)n1
InChIInChI=1S/C18H17FN4O/c1-13-11-23(18(20)22-13)21-10-14-5-4-7-16(9-14)24-12-15-6-2-3-8-17(15)19/h2-11H,12H2,1H3,(H2,20,22)
InChIKeyIBXPAUIRMDYAQJ-UHFFFAOYSA-N
XLogP3.37
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.37
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-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630248
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993
1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629035
1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168630092) is 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cccc(OCc3ccccc3F)c2)c(N)n1.
What is the InChIKey of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is IBXPAUIRMDYAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-13-11-23(18(20)22-13)21-10-14-5-4-7-16(9-14)24-12-15-6-2-3-8-17(15)19/h2-11H,12H2,1H3,(H2,20,22).
What are the key properties of 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 324.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).