1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine

C15H20N4S — CID 168628982

IUPAC1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCSc1cccc(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C15H20N4S/c1-3-4-8-20-14-7-5-6-13(9-14)10-17-19-11-12(2)18-15(19)16/h5-7,9-11H,3-4,8H2,1-2H3,(H2,16,18)
InChIKeyOMUNVVMFBXBGKZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.55
Rot. Bonds6

About 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628982) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628982
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCSc1cccc(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C15H20N4S/c1-3-4-8-20-14-7-5-6-13(9-14)10-17-19-11-12(2)18-15(19)16/h5-7,9-11H,3-4,8H2,1-2H3,(H2,16,18)
InChIKeyOMUNVVMFBXBGKZ-UHFFFAOYSA-N
XLogP3.55
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629107
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629127
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
4-methyl-1-[(2-propylsulfanylphenyl)methylideneamino]imidazol-2-amine
CID 168628990
4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
CID 168630371
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
CID 168630764

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628982) is 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine is CCCCSc1cccc(C=Nn2cc(C)nc2N)c1.
What is the InChIKey of 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is OMUNVVMFBXBGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-4-8-20-14-7-5-6-13(9-14)10-17-19-11-12(2)18-15(19)16/h5-7,9-11H,3-4,8H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).