5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

C12H16N2S — CID 2806607

IUPAC5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(CSC2=NCC(C)N2)cc1
InChIInChI=1S/C12H16N2S/c1-9-3-5-11(6-4-9)8-15-12-13-7-10(2)14-12/h3-6,10H,7-8H2,1-2H3,(H,13,14)
InChIKeyPDHFOONKCUKUIO-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.58
Rot. Bonds2

About 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 2806607) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID2806607
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(CSC2=NCC(C)N2)cc1
InChIInChI=1S/C12H16N2S/c1-9-3-5-11(6-4-9)8-15-12-13-7-10(2)14-12/h3-6,10H,7-8H2,1-2H3,(H,13,14)
InChIKeyPDHFOONKCUKUIO-UHFFFAOYSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
4,4-dimethyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135465266
4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(2-phenylethyl)-
CID 2363238
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3856622
(2-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660679
4-(2-Imidazolin-2-ylthiomethyl)benzenecarbonitrile
CID 727439
2-([(2-Fluorophenyl)methyl]sulfanyl)-4,5-dihydro-1H-imidazole
CID 573297
2-(Benzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 2936783
4-((4,5-dihydro-1H-imidazol-2-ylthio)methyl)benzonitrile hydrobromide
CID 16195986
(5r)-5-Methyl-N-(2-Phenylethyl)-4,5-Dihydro-1,3-Thiazol-2-Amine
CID 934585

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 2806607) is 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Cc1ccc(CSC2=NCC(C)N2)cc1.
What is the InChIKey of 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is PDHFOONKCUKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-3-5-11(6-4-9)8-15-12-13-7-10(2)14-12/h3-6,10H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 220.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 2806607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).