2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one

C11H18N2OS2 — CID 106952573

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(C2CSC(C)C(C)S2)NC1=O
InChIInChI=1S/C11H18N2OS2/c1-4-8-11(14)13-10(12-8)9-5-15-6(2)7(3)16-9/h6-9H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyBBYDNYUBGJPVPM-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.92
Rot. Bonds2

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one

2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one (PubChem CID 106952573) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
PubChem CID106952573
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(C2CSC(C)C(C)S2)NC1=O
InChIInChI=1S/C11H18N2OS2/c1-4-8-11(14)13-10(12-8)9-5-15-6(2)7(3)16-9/h6-9H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyBBYDNYUBGJPVPM-UHFFFAOYSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136831444
4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one
CID 106952774
5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 103344653
4-ethyl-2-prop-1-en-2-yl-1,4-dihydroimidazol-5-one
CID 163837151
4-ethyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
CID 106952625
4-ethyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952587
4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one
CID 106952590
2-(2-ethoxybutan-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952604
5-bromo-3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-thiadiazole
CID 103347020
4-ethyl-2-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
CID 106952766
2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952623
4-ethyl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
CID 106952595

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one (CID 106952573) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one is CCC1N=C(C2CSC(C)C(C)S2)NC1=O.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
The InChIKey is BBYDNYUBGJPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-4-8-11(14)13-10(12-8)9-5-15-6(2)7(3)16-9/h6-9H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one has a molecular weight of 258.41 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).