4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine

C15H20N4S — CID 168630371

IUPAC4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(SCC(C)C)cc2)c(N)n1
InChIInChI=1S/C15H20N4S/c1-11(2)10-20-14-6-4-13(5-7-14)8-17-19-9-12(3)18-15(19)16/h4-9,11H,10H2,1-3H3,(H2,16,18)
InChIKeyKLQPVLBSUWJPIK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.40
Rot. Bonds5

About 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168630371) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
PubChem CID168630371
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(SCC(C)C)cc2)c(N)n1
InChIInChI=1S/C15H20N4S/c1-11(2)10-20-14-6-4-13(5-7-14)8-17-19-9-12(3)18-15(19)16/h4-9,11H,10H2,1-3H3,(H2,16,18)
InChIKeyKLQPVLBSUWJPIK-UHFFFAOYSA-N
XLogP3.40
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine (CID 168630371) is 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc(SCC(C)C)cc2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is KLQPVLBSUWJPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11(2)10-20-14-6-4-13(5-7-14)8-17-19-9-12(3)18-15(19)16/h4-9,11H,10H2,1-3H3,(H2,16,18).
What are the key properties of 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168630371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).