(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone

C18H26N2O4S — CID 4585995

IUPAC(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN=C2SCC)cc(OCC)c1OCC
InChIInChI=1S/C18H26N2O4S/c1-5-22-14-11-13(12-15(23-6-2)16(14)24-7-3)17(21)20-10-9-19-18(20)25-8-4/h11-12H,5-10H2,1-4H3
InChIKeyMYOITFIJJNZVIZ-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.45
Rot. Bonds8

About (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone

(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone (PubChem CID 4585995) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
PubChem CID4585995
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN=C2SCC)cc(OCC)c1OCC
InChIInChI=1S/C18H26N2O4S/c1-5-22-14-11-13(12-15(23-6-2)16(14)24-7-3)17(21)20-10-9-19-18(20)25-8-4/h11-12H,5-10H2,1-4H3
InChIKeyMYOITFIJJNZVIZ-UHFFFAOYSA-N
XLogP3.45
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate
CID 5130297
(3,4-diethoxyphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4061669
[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4606261
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
CID 4572713
(3,4-diethoxyphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5176571
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4585998
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
CID 4124860
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
[2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4290659
(2-ethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4114598
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone (CID 4585995) is (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN=C2SCC)cc(OCC)c1OCC.
What is the InChIKey of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is MYOITFIJJNZVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-5-22-14-11-13(12-15(23-6-2)16(14)24-7-3)17(21)20-10-9-19-18(20)25-8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 366.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 4585995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).