4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one

C11H14N2OS — CID 56639314

IUPAC4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2cccs2)NC1=O
InChIInChI=1S/C11H14N2OS/c1-7(2)11(3)10(14)12-9(13-11)8-5-4-6-15-8/h4-7H,1-3H3,(H,12,13,14)
InChIKeyVJRIXMOEXSCMAI-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one

4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one (PubChem CID 56639314) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
PubChem CID56639314
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2cccs2)NC1=O
InChIInChI=1S/C11H14N2OS/c1-7(2)11(3)10(14)12-9(13-11)8-5-4-6-15-8/h4-7H,1-3H3,(H,12,13,14)
InChIKeyVJRIXMOEXSCMAI-UHFFFAOYSA-N
XLogP2.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
CID 106953389
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
methyl 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-1-benzothiophene-6-carboxylate
CID 54545159
4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one
CID 23053527
2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]quinoline-3-carboxylic acid
CID 909781
azane;bis(2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid)
CID 173487096
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-4-oxo-3H-quinoline-3-carboxylic acid
CID 140504253
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-[(Z)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 70411627
ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 51674642
N-(2-chloroethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250670
5,5-dimethyl-4-propan-2-yl-4-thiophen-2-ylpyrrolidin-2-one
CID 66106979
2-fluoro-4-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 57313483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one?
The IUPAC name of 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one (CID 56639314) is 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one?
The canonical SMILES for 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one is CC(C)C1(C)N=C(c2cccs2)NC1=O.
What is the InChIKey of 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one?
The InChIKey is VJRIXMOEXSCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7(2)11(3)10(14)12-9(13-11)8-5-4-6-15-8/h4-7H,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one?
4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one has a molecular weight of 222.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 56639314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).