4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine

C17H24N4 — CID 168630428

IUPAC4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine
SMILESCCc1cc(CC)c(C=Nn2cc(C)nc2N)c(CC)c1
InChIInChI=1S/C17H24N4/c1-5-13-8-14(6-2)16(15(7-3)9-13)10-19-21-11-12(4)20-17(21)18/h8-11H,5-7H2,1-4H3,(H2,18,20)
InChIKeyPASLYJXREIPOCT-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.34
Rot. Bonds5

About 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine

4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168630428) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine
PubChem CID168630428
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine
SMILESCCc1cc(CC)c(C=Nn2cc(C)nc2N)c(CC)c1
InChIInChI=1S/C17H24N4/c1-5-13-8-14(6-2)16(15(7-3)9-13)10-19-21-11-12(4)20-17(21)18/h8-11H,5-7H2,1-4H3,(H2,18,20)
InChIKeyPASLYJXREIPOCT-UHFFFAOYSA-N
XLogP3.34
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628874
1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628758
1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628519
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-bromo-4-chlorophenol
CID 168631325
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[(3-bromo-5-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628683
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629127
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
ethyl 2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-6-chlorobenzoate
CID 168630024

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine (CID 168630428) is 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine is CCc1cc(CC)c(C=Nn2cc(C)nc2N)c(CC)c1.
What is the InChIKey of 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is PASLYJXREIPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-13-8-14(6-2)16(15(7-3)9-13)10-19-21-11-12(4)20-17(21)18/h8-11H,5-7H2,1-4H3,(H2,18,20).
What are the key properties of 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168630428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).