1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole

C20H28N2S — CID 53242920

IUPAC1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
SMILESCCCCCCCC/C(=C/n1ccnc1)Sc1ccc(C)cc1
InChIInChI=1S/C20H28N2S/c1-3-4-5-6-7-8-9-20(16-22-15-14-21-17-22)23-19-12-10-18(2)11-13-19/h10-17H,3-9H2,1-2H3/b20-16-
InChIKeyGXVICFUNFSUNEL-SILNSSARSA-N
MW328.53 g/mol
LogP6.53
Rot. Bonds10

About 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole

1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole (PubChem CID 53242920) has the molecular formula C20H28N2S and a molecular weight of 328.53 g/mol. Its IUPAC name is 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
PubChem CID53242920
Molecular FormulaC20H28N2S
Molecular Weight328.53 g/mol
Exact Mass328.20
IUPAC Name1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
SMILESCCCCCCCC/C(=C/n1ccnc1)Sc1ccc(C)cc1
InChIInChI=1S/C20H28N2S/c1-3-4-5-6-7-8-9-20(16-22-15-14-21-17-22)23-19-12-10-18(2)11-13-19/h10-17H,3-9H2,1-2H3/b20-16-
InChIKeyGXVICFUNFSUNEL-SILNSSARSA-N
XLogP6.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene
CID 71401794
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
1-methoxy-4-[(E)-1-methylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 102086567
1-(4-methylphenyl)sulfanyloctan-2-one
CID 66065161
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one
CID 54242985
(E)-3-phenylsulfanyldec-2-enal
CID 15529409
4-methylbenzenesulfonic acid;1-octylimidazole
CID 175477505
1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
1-[(E)-oct-1-enyl]imidazole
CID 122364319
1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
CID 134934599

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole?
The IUPAC name of 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole (CID 53242920) is 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole.
What is the SMILES notation for 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole?
The canonical SMILES for 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole is CCCCCCCC/C(=C/n1ccnc1)Sc1ccc(C)cc1.
What is the InChIKey of 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole?
The InChIKey is GXVICFUNFSUNEL-SILNSSARSA-N. The full InChI is InChI=1S/C20H28N2S/c1-3-4-5-6-7-8-9-20(16-22-15-14-21-17-22)23-19-12-10-18(2)11-13-19/h10-17H,3-9H2,1-2H3/b20-16-.
What are the key properties of 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole?
1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole has a molecular weight of 328.53 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole is sourced from PubChem (CID 53242920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).