1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole

C19H18N2OS — CID 67750303

IUPAC1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole
SMILESCCOc1ccccc1C(=CSc1ccccc1)n1ccnc1
InChIInChI=1S/C19H18N2OS/c1-2-22-19-11-7-6-10-17(19)18(21-13-12-20-15-21)14-23-16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyMPYSUIICVFSAIH-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.92
Rot. Bonds6

About 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole

1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole (PubChem CID 67750303) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole
PubChem CID67750303
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole
SMILESCCOc1ccccc1C(=CSc1ccccc1)n1ccnc1
InChIInChI=1S/C19H18N2OS/c1-2-22-19-11-7-6-10-17(19)18(21-13-12-20-15-21)14-23-16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyMPYSUIICVFSAIH-UHFFFAOYSA-N
XLogP4.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-1-imidazol-1-yl-2-phenylsulfanylethenyl]phenol
CID 14100279
1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
CID 4459
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;2H-triazole
CID 174953338
1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
CID 70426848
1-[1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007491
1-[(Z)-1-[2-[(3-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479458
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole
CID 3007518
4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine
CID 3007534
1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole
CID 3007472

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole (CID 67750303) is 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole is CCOc1ccccc1C(=CSc1ccccc1)n1ccnc1.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole?
The InChIKey is MPYSUIICVFSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-22-19-11-7-6-10-17(19)18(21-13-12-20-15-21)14-23-16-8-4-3-5-9-16/h3-15H,2H2,1H3.
What are the key properties of 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole?
1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole has a molecular weight of 322.43 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole is sourced from PubChem (CID 67750303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).