1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine

C15H17FN4O — CID 168629035

IUPAC1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESC=CCOCc1ccc(C=Nn2cc(C)nc2N)cc1F
InChIInChI=1S/C15H17FN4O/c1-3-6-21-10-13-5-4-12(7-14(13)16)8-18-20-9-11(2)19-15(20)17/h3-5,7-9H,1,6,10H2,2H3,(H2,17,19)
InChIKeyUPZXPQCCLKERKE-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.50
Rot. Bonds6

About 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629035) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629035
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESC=CCOCc1ccc(C=Nn2cc(C)nc2N)cc1F
InChIInChI=1S/C15H17FN4O/c1-3-6-21-10-13-5-4-12(7-14(13)16)8-18-20-9-11(2)19-15(20)17/h3-5,7-9H,1,6,10H2,2H3,(H2,17,19)
InChIKeyUPZXPQCCLKERKE-UHFFFAOYSA-N
XLogP2.50
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629050
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163
1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629407
4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
CID 168629924
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629035) is 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is C=CCOCc1ccc(C=Nn2cc(C)nc2N)cc1F.
What is the InChIKey of 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is UPZXPQCCLKERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-6-21-10-13-5-4-12(7-14(13)16)8-18-20-9-11(2)19-15(20)17/h3-5,7-9H,1,6,10H2,2H3,(H2,17,19).
What are the key properties of 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 288.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).