4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine

C14H19N3OS — CID 106580561

IUPAC4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCCS(C)=O)n1
InChIInChI=1S/C14H19N3OS/c1-12-11-17(13-7-4-3-5-8-13)14(16-12)15-9-6-10-19(2)18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16)
InChIKeyPZILLDBXZQROAZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.36
Rot. Bonds6

About 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine

4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine (PubChem CID 106580561) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
PubChem CID106580561
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCCS(C)=O)n1
InChIInChI=1S/C14H19N3OS/c1-12-11-17(13-7-4-3-5-8-13)14(16-12)15-9-6-10-19(2)18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16)
InChIKeyPZILLDBXZQROAZ-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
CID 106581417
N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
CID 106555123
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
4-methyl-1-phenyl-N-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567558
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106575438
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylimidazol-2-amine
CID 106573444
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
CID 106581398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine (CID 106580561) is 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NCCCS(C)=O)n1.
What is the InChIKey of 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine?
The InChIKey is PZILLDBXZQROAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-12-11-17(13-7-4-3-5-8-13)14(16-12)15-9-6-10-19(2)18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine?
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106580561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).