1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole

C19H20N2S — CID 44587318

IUPAC1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole
SMILESCCC(c1ccc(-c2ccc(SC)cc2)cc1)n1ccnc1
InChIInChI=1S/C19H20N2S/c1-3-19(21-13-12-20-14-21)17-6-4-15(5-7-17)16-8-10-18(22-2)11-9-16/h4-14,19H,3H2,1-2H3
InChIKeyNUCLCCGXSDSLLN-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.27
Rot. Bonds5

About 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole

1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole (PubChem CID 44587318) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole.

Molecular Properties

Compound Name1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole
PubChem CID44587318
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole
SMILESCCC(c1ccc(-c2ccc(SC)cc2)cc1)n1ccnc1
InChIInChI=1S/C19H20N2S/c1-3-19(21-13-12-20-14-21)17-6-4-15(5-7-17)16-8-10-18(22-2)11-9-16/h4-14,19H,3H2,1-2H3
InChIKeyNUCLCCGXSDSLLN-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bifonazole
CID 2378
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
Dechloroclotrimazole
CID 618231
1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole
CID 13416469
1-((9H-Fluoren-2-yl)ethyl)-1H-imidazole
CID 9861000
1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole
CID 10354661
1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
1-Benzhydryl-1H-imidazole
CID 283391
1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole
CID 510040
1-(1-Biphenyl-4-yl-propyl)-1H-imidazole
CID 44587233
1-(1-Biphenyl-4-yl-butyl)-1H-imidazole
CID 44587265

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole?
The IUPAC name of 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole (CID 44587318) is 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole.
What is the SMILES notation for 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole?
The canonical SMILES for 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole is CCC(c1ccc(-c2ccc(SC)cc2)cc1)n1ccnc1.
What is the InChIKey of 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole?
The InChIKey is NUCLCCGXSDSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-3-19(21-13-12-20-14-21)17-6-4-15(5-7-17)16-8-10-18(22-2)11-9-16/h4-14,19H,3H2,1-2H3.
What are the key properties of 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole?
1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole has a molecular weight of 308.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-methylsulfanylphenyl)phenyl]propyl]imidazole is sourced from PubChem (CID 44587318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).