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

C19H20N2O2S — CID 4572713

IUPAC(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-17-11-7-6-10-16(17)18(22)21-13-12-20-19(21)24-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeySBNNDTGGXMKXTP-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.83
Rot. Bonds5

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

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 4572713) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID4572713
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN=C1SCc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-17-11-7-6-10-16(17)18(22)21-13-12-20-19(21)24-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeySBNNDTGGXMKXTP-UHFFFAOYSA-N
XLogP3.83
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4114598
(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3442350
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 4055617
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936
(3,4-diethoxyphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5176571
(3,4-diethoxyphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4061669
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
CID 4124860
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4585995
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 4638818

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone (CID 4572713) is (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCN=C1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is SBNNDTGGXMKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-23-17-11-7-6-10-16(17)18(22)21-13-12-20-19(21)24-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3.
What are the key properties of (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone?
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 340.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 4572713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).