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

1-Phenylimidazole
CID 81595
4-(1H-imidazol-1-yl)aniline
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4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
2-(1H-imidazol-1-yl)aniline
CID 320166
4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
CID 49799252
3-[3-(1H-imidazol-1-yl)propyl]-1-phenylthiourea
CID 2882201
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-fluorophenyl)thiourea
CID 6539185
1-[4-(dimethylamino)phenyl]-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539186
3-[3-(1H-imidazol-1-yl)propyl]-1-[4-(methylsulfanyl)phenyl]thiourea
CID 6539187
3-(5-methyl-1H-imidazol-1-yl)pyridine
CID 23646070

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).