1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone

C20H22N2O2S — CID 4055617

IUPAC1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-24-18-10-8-16(9-11-18)14-19(23)22-13-12-21-20(22)25-15-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3
InChIKeyJRDLGAYPNLVONM-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.76
Rot. Bonds6

About 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone

1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone (PubChem CID 4055617) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
PubChem CID4055617
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-24-18-10-8-16(9-11-18)14-19(23)22-13-12-21-20(22)25-15-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3
InChIKeyJRDLGAYPNLVONM-UHFFFAOYSA-N
XLogP3.76
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 5165403
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
CID 4572713
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-phenylphenyl)ethanone
CID 4095625
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
CID 3415570
(2-ethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4114598
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 66866499
1-(2-benzyl-4,5-dihydroimidazol-1-yl)-2-phenylethanone
CID 3423222
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110808271
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone (CID 4055617) is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1.
What is the InChIKey of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone?
The InChIKey is JRDLGAYPNLVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-24-18-10-8-16(9-11-18)14-19(23)22-13-12-21-20(22)25-15-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone?
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone has a molecular weight of 354.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 4055617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).