1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole

C17H22N2OS — CID 10425029

IUPAC1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole
SMILESCCCCOc1ccccc1/C(=C/SCC)n1ccnc1
InChIInChI=1S/C17H22N2OS/c1-3-5-12-20-17-9-7-6-8-15(17)16(13-21-4-2)19-11-10-18-14-19/h6-11,13-14H,3-5,12H2,1-2H3/b16-13-
InChIKeyIPUQQUZPISTEQJ-SSZFMOIBSA-N
MW302.44 g/mol
LogP4.66
Rot. Bonds8

About 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole

1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole (PubChem CID 10425029) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole.

Molecular Properties

Compound Name1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole
PubChem CID10425029
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole
SMILESCCCCOc1ccccc1/C(=C/SCC)n1ccnc1
InChIInChI=1S/C17H22N2OS/c1-3-5-12-20-17-9-7-6-8-15(17)16(13-21-4-2)19-11-10-18-14-19/h6-11,13-14H,3-5,12H2,1-2H3/b16-13-
InChIKeyIPUQQUZPISTEQJ-SSZFMOIBSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole?
The IUPAC name of 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole (CID 10425029) is 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole.
What is the SMILES notation for 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole?
The canonical SMILES for 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole is CCCCOc1ccccc1/C(=C/SCC)n1ccnc1.
What is the InChIKey of 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole?
The InChIKey is IPUQQUZPISTEQJ-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-5-12-20-17-9-7-6-8-15(17)16(13-21-4-2)19-11-10-18-14-19/h6-11,13-14H,3-5,12H2,1-2H3/b16-13-.
What are the key properties of 1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole?
1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]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-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole is sourced from PubChem (CID 10425029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).