1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole

C17H22N2OS — CID 5282433

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IUPAC1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
SMILESCCCCCOc1ccccc1/C(=C\SC)n1ccnc1
InChIInChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+
InChIKeyVWOIKFDZQQLJBJ-DTQAZKPQSA-N
MW302.44 g/mol
LogP4.66
Rot. Bonds8

About 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole

1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole (PubChem CID 5282433) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
PubChem CID5282433
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
SMILESCCCCCOc1ccccc1/C(=C\SC)n1ccnc1
InChIInChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+
InChIKeyVWOIKFDZQQLJBJ-DTQAZKPQSA-N
XLogP4.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Croconazole
CID 2880
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[3-(2,6-dimethylphenoxy)propyl]-1H-imidazole
CID 2843475
1-[3-(mesityloxy)propyl]-1H-imidazole
CID 3847057
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
1-[2-[1-(2-Methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15917635
1-[2-(1-Imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 15917643

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole?
The IUPAC name of 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole (CID 5282433) is 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole?
The canonical SMILES for 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole is CCCCCOc1ccccc1/C(=C\SC)n1ccnc1.
What is the InChIKey of 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole?
The InChIKey is VWOIKFDZQQLJBJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+.
What are the key properties of 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole?
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole has a molecular weight of 302.44 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole is sourced from PubChem (CID 5282433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).