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

C15H20N6 — CID 168631043

IUPAC4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2N2CCNCC2)c(N)n1
InChIInChI=1S/C15H20N6/c1-12-11-21(15(16)19-12)18-10-13-4-2-3-5-14(13)20-8-6-17-7-9-20/h2-5,10-11,17H,6-9H2,1H3,(H2,16,19)
InChIKeyQYVNOHMKXSWPDF-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.07
Rot. Bonds3

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

4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168631043) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine
PubChem CID168631043
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2N2CCNCC2)c(N)n1
InChIInChI=1S/C15H20N6/c1-12-11-21(15(16)19-12)18-10-13-4-2-3-5-14(13)20-8-6-17-7-9-20/h2-5,10-11,17H,6-9H2,1H3,(H2,16,19)
InChIKeyQYVNOHMKXSWPDF-UHFFFAOYSA-N
XLogP1.07
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine (CID 168631043) is 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccccc2N2CCNCC2)c(N)n1.
What is the InChIKey of 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is QYVNOHMKXSWPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-12-11-21(15(16)19-12)18-10-13-4-2-3-5-14(13)20-8-6-17-7-9-20/h2-5,10-11,17H,6-9H2,1H3,(H2,16,19).
What are the key properties of 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168631043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).