4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine

C15H14N4S — CID 168629485

IUPAC4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2cccc(-c3cccs3)c2)c(N)n1
InChIInChI=1S/C15H14N4S/c1-11-10-19(15(16)18-11)17-9-12-4-2-5-13(8-12)14-6-3-7-20-14/h2-10H,1H3,(H2,16,18)
InChIKeyJGOYZSDAMDSTEN-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds3

About 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine

4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168629485) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
PubChem CID168629485
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2cccc(-c3cccs3)c2)c(N)n1
InChIInChI=1S/C15H14N4S/c1-11-10-19(15(16)18-11)17-9-12-4-2-5-13(8-12)14-6-3-7-20-14/h2-10H,1H3,(H2,16,18)
InChIKeyJGOYZSDAMDSTEN-UHFFFAOYSA-N
XLogP3.38
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
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

2-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]benzoic acid
CID 168631010
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629127
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
CID 168629687
1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628982
1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629107
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
CID 168630764
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine (CID 168629485) is 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2cccc(-c3cccs3)c2)c(N)n1.
What is the InChIKey of 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is JGOYZSDAMDSTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-11-10-19(15(16)18-11)17-9-12-4-2-5-13(8-12)14-6-3-7-20-14/h2-10H,1H3,(H2,16,18).
What are the key properties of 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).