1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C13H13F3N4O2 — CID 168628638

IUPAC1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(OC(F)(F)F)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C13H13F3N4O2/c1-8-7-20(12(17)19-8)18-6-9-5-10(22-13(14,15)16)3-4-11(9)21-2/h3-7H,1-2H3,(H2,17,19)
InChIKeyVSSIRXPKEVCFNK-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.56
Rot. Bonds4

About 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628638) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628638
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(OC(F)(F)F)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C13H13F3N4O2/c1-8-7-20(12(17)19-8)18-6-9-5-10(22-13(14,15)16)3-4-11(9)21-2/h3-7H,1-2H3,(H2,17,19)
InChIKeyVSSIRXPKEVCFNK-UHFFFAOYSA-N
XLogP2.56
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-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

N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine
CID 155110984
1-[2-methoxy-4-(trifluoromethyl)phenyl]-3H-imidazo[1,5-d][1,2,4]triazine-4-thione
CID 171852414
1-[(4-Methoxyphenyl)methylene]-1h-imidazole-1,2-diamine
CID 129706929
1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine
CID 46823979
4-(5-Fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
5-methyl-2-[2-(trifluoromethyl)phenoxy]-1H-imidazole
CID 117189358
1,4-Dimethyl-2-[2-(trifluoromethyl)phenoxy]imidazole
CID 117189362
5-methyl-2-[3-(trifluoromethyl)phenoxy]-1H-imidazole
CID 117189430
1,4-Dimethyl-2-[3-(trifluoromethyl)phenoxy]imidazole
CID 117189434
1-Ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole
CID 117189729
4-Methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole
CID 117189732
1-Ethyl-4-methyl-2-[3-(trifluoromethyl)phenoxy]imidazole
CID 117189802

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168628638) is 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is COc1ccc(OC(F)(F)F)cc1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is VSSIRXPKEVCFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-8-7-20(12(17)19-8)18-6-9-5-10(22-13(14,15)16)3-4-11(9)21-2/h3-7H,1-2H3,(H2,17,19).
What are the key properties of 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 314.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).