2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole

C16H22N2S — CID 129255839

IUPAC2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
SMILESCc1cccc(-n2ccnc2SCCCC(C)C)c1
InChIInChI=1S/C16H22N2S/c1-13(2)6-5-11-19-16-17-9-10-18(16)15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3
InChIKeyMNIZUZIMOFRVNN-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.71
Rot. Bonds6

About 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole

2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole (PubChem CID 129255839) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole.

Molecular Properties

Compound Name2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
PubChem CID129255839
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
SMILESCc1cccc(-n2ccnc2SCCCC(C)C)c1
InChIInChI=1S/C16H22N2S/c1-13(2)6-5-11-19-16-17-9-10-18(16)15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3
InChIKeyMNIZUZIMOFRVNN-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole 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

2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
CID 99773691
3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 46540725
4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutanenitrile
CID 134010953
3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 134052377
5-[3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 47016364
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33298554
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N,N-bis(2-cyanoethyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 46806811
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
4-methoxy-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]benzaldehyde
CID 46479695

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole?
The IUPAC name of 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole (CID 129255839) is 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole.
What is the SMILES notation for 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole?
The canonical SMILES for 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole is Cc1cccc(-n2ccnc2SCCCC(C)C)c1.
What is the InChIKey of 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole?
The InChIKey is MNIZUZIMOFRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(2)6-5-11-19-16-17-9-10-18(16)15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3.
What are the key properties of 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole?
2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole has a molecular weight of 274.43 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole is sourced from PubChem (CID 129255839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).