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

C14H18N4S — CID 168628990

IUPAC4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
SMILESCCCSc1ccccc1C=Nn1cc(C)nc1N
InChIInChI=1S/C14H18N4S/c1-3-8-19-13-7-5-4-6-12(13)9-16-18-10-11(2)17-14(18)15/h4-7,9-10H,3,8H2,1-2H3,(H2,15,17)
InChIKeyFRHWSYQHDFOQEW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.16
Rot. Bonds5

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

4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168628990) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
PubChem CID168628990
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
SMILESCCCSc1ccccc1C=Nn1cc(C)nc1N
InChIInChI=1S/C14H18N4S/c1-3-8-19-13-7-5-4-6-12(13)9-16-18-10-11(2)17-14(18)15/h4-7,9-10H,3,8H2,1-2H3,(H2,15,17)
InChIKeyFRHWSYQHDFOQEW-UHFFFAOYSA-N
XLogP3.16
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.16
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

4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
4-methyl-1-[(2-phenylphenyl)methylideneamino]imidazol-2-amine
CID 168628686
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566
1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629078
[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] acetate
CID 168631323
4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine
CID 168631043
ethyl 2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-6-chlorobenzoate
CID 168630024
1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628874
4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
CID 168630371
1-[[2-(4-benzylpiperazin-1-yl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629658
4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
CID 168629899
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine (CID 168628990) is 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine is CCCSc1ccccc1C=Nn1cc(C)nc1N.
What is the InChIKey of 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is FRHWSYQHDFOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-3-8-19-13-7-5-4-6-12(13)9-16-18-10-11(2)17-14(18)15/h4-7,9-10H,3,8H2,1-2H3,(H2,15,17).
What are the key properties of 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168628990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).