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

C13H13F3N4O — CID 168630067

IUPAC1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1C(F)(F)F
InChIInChI=1S/C13H13F3N4O/c1-8-7-20(12(17)19-8)18-6-9-3-4-10(13(14,15)16)11(5-9)21-2/h3-7H,1-2H3,(H2,17,19)
InChIKeyDRERWPMGOCOBDI-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.68
Rot. Bonds3

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

1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630067) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630067
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1cc(C=Nn2cc(C)nc2N)ccc1C(F)(F)F
InChIInChI=1S/C13H13F3N4O/c1-8-7-20(12(17)19-8)18-6-9-3-4-10(13(14,15)16)11(5-9)21-2/h3-7H,1-2H3,(H2,17,19)
InChIKeyDRERWPMGOCOBDI-UHFFFAOYSA-N
XLogP2.68
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.68
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-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150
1-[[2-methoxy-6-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631247
1-[[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630950
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628638
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168630067) is 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is COc1cc(C=Nn2cc(C)nc2N)ccc1C(F)(F)F.
What is the InChIKey of 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is DRERWPMGOCOBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-7-20(12(17)19-8)18-6-9-3-4-10(13(14,15)16)11(5-9)21-2/h3-7H,1-2H3,(H2,17,19).
What are the key properties of 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 298.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).