4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one

C9H10N2OS — CID 106953389

IUPAC4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cccs2)NC1=O
InChIInChI=1S/C9H10N2OS/c1-9(2)8(12)10-7(11-9)6-4-3-5-13-6/h3-5H,1-2H3,(H,10,11,12)
InChIKeyACSTVFJHPJRSFU-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.40
Rot. Bonds1

About 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one

4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one (PubChem CID 106953389) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
PubChem CID106953389
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cccs2)NC1=O
InChIInChI=1S/C9H10N2OS/c1-9(2)8(12)10-7(11-9)6-4-3-5-13-6/h3-5H,1-2H3,(H,10,11,12)
InChIKeyACSTVFJHPJRSFU-UHFFFAOYSA-N
XLogP1.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
CID 56639314
2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one
CID 106953323
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-6-thiophen-2-ylpyridine-3-carboxylic acid;propan-2-amine
CID 70411716
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
2-thiophen-2-ylthiophene;triazine
CID 175444863
6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
CID 712788
4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine
CID 152634864
2-methyl-5-thiophen-2-yl-4H-1,2,4-triazol-3-one
CID 137219354
3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22424916
(4Z)-4-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-1H-imidazol-5-one
CID 136893884
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one (CID 106953389) is 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one is CC1(C)N=C(c2cccs2)NC1=O.
What is the InChIKey of 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one?
The InChIKey is ACSTVFJHPJRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-9(2)8(12)10-7(11-9)6-4-3-5-13-6/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one?
4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one has a molecular weight of 194.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 106953389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).