4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine

C13H17N3S — CID 106572558

IUPAC4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
SMILESCSCCn1cc(C)nc1Nc1ccccc1
InChIInChI=1S/C13H17N3S/c1-11-10-16(8-9-17-2)13(14-11)15-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyWLPYACUNPQLTKS-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.30
Rot. Bonds5

About 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine

4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine (PubChem CID 106572558) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
PubChem CID106572558
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
SMILESCSCCn1cc(C)nc1Nc1ccccc1
InChIInChI=1S/C13H17N3S/c1-11-10-16(8-9-17-2)13(14-11)15-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyWLPYACUNPQLTKS-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-methylsulfonylethyl)-N-phenylimidazol-2-amine
CID 106563436
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
4-methyl-N-phenyl-1-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581590
1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
CID 106582506
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
CID 106562341
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-N-phenylimidazol-2-amine
CID 106570835
4-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-phenylimidazol-2-amine
CID 106566250
4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
CID 106566017
4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
CID 106560077
1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
CID 106575524
1-(2-methoxyethyl)-4-methyl-N-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556608

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine (CID 106572558) is 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine is CSCCn1cc(C)nc1Nc1ccccc1.
What is the InChIKey of 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine?
The InChIKey is WLPYACUNPQLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-11-10-16(8-9-17-2)13(14-11)15-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine?
4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106572558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).