4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one

C26H24N2O4S — CID 138964399

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one
SMILESCOc1ccc(CC2N=C(SCC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H24N2O4S/c1-31-23-14-13-18(16-24(23)32-2)15-21-25(30)28(20-11-7-4-8-12-20)26(27-21)33-17-22(29)19-9-5-3-6-10-19/h3-14,16,21H,15,17H2,1-2H3
InChIKeyKOYYNXVOIDJRGV-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.63
Rot. Bonds8

About 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one

4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one (PubChem CID 138964399) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one
PubChem CID138964399
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one
SMILESCOc1ccc(CC2N=C(SCC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H24N2O4S/c1-31-23-14-13-18(16-24(23)32-2)15-21-25(30)28(20-11-7-4-8-12-20)26(27-21)33-17-22(29)19-9-5-3-6-10-19/h3-14,16,21H,15,17H2,1-2H3
InChIKeyKOYYNXVOIDJRGV-UHFFFAOYSA-N
XLogP4.63
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 1164106
2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone
CID 91880310
2-(3,4-dimethoxy-2-methylphenyl)sulfanyl-1-phenylethanone
CID 91880309
(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one;hydrobromide
CID 22693836
3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
CID 43912760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 99660136
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
2-[3-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]phenyl]acetic acid
CID 91880265
2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104476
(5Z)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazol-4-one
CID 6513053
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one (CID 138964399) is 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one is COc1ccc(CC2N=C(SCC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one?
The InChIKey is KOYYNXVOIDJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-31-23-14-13-18(16-24(23)32-2)15-21-25(30)28(20-11-7-4-8-12-20)26(27-21)33-17-22(29)19-9-5-3-6-10-19/h3-14,16,21H,15,17H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one?
4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one has a molecular weight of 460.56 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-2-phenacylsulfanyl-1-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 138964399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).