(3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C15H20N2O3S — CID 3235834

IUPAC(3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN=C2SC)cc1OCC
InChIInChI=1S/C15H20N2O3S/c1-4-19-12-7-6-11(10-13(12)20-5-2)14(18)17-9-8-16-15(17)21-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyFHTBALYXGWLJEL-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.66
Rot. Bonds5

About (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3235834) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3235834
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN=C2SC)cc1OCC
InChIInChI=1S/C15H20N2O3S/c1-4-19-12-7-6-11(10-13(12)20-5-2)14(18)17-9-8-16-15(17)21-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyFHTBALYXGWLJEL-UHFFFAOYSA-N
XLogP2.66
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide
CID 669334
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-yl)methanone
CID 2814667
(3-Methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 3413160
2-(3,4-dimethoxyphenyl)-1-(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 4275454
(4-methoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 5024635
4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101240
1-[4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]ethanone
CID 24684685
1-(3-Methoxy-4-propoxybenzoyl)pyrrolidine
CID 592173
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
CID 771169
3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione
CID 648036
(4-Benzylpiperazin-1-yl)-(3,4-diethoxyphenyl)methanone
CID 1108340
3-ethoxy-N,N-diethyl-4-hydroxybenzamide
CID 26324

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3235834) is (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CCOc1ccc(C(=O)N2CCN=C2SC)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is FHTBALYXGWLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-19-12-7-6-11(10-13(12)20-5-2)14(18)17-9-8-16-15(17)21-3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 308.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3235834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).