3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

C16H17ClN2O2S — CID 112844075

IUPAC3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(C)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O
InChIInChI=1S/C16H17ClN2O2S/c1-9(2)16(3)14(20)19(15(21)18-16)8-12-13(17)10-6-4-5-7-11(10)22-12/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyYJBCZDSBNCBMGZ-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.02
Rot. Bonds3

About 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 112844075) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID112844075
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(C)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O
InChIInChI=1S/C16H17ClN2O2S/c1-9(2)16(3)14(20)19(15(21)18-16)8-12-13(17)10-6-4-5-7-11(10)22-12/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyYJBCZDSBNCBMGZ-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 46658197
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94191065
3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022751
4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-2-one
CID 17401649
(3-chloro-1-benzothiophen-2-yl)methyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 24557056
2-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659782
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 115621874
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylpentan-2-amine
CID 63453706
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 93423385
3-(3-aminopropyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82147926
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82148488

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (CID 112844075) is 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1(C)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O.
What is the InChIKey of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is YJBCZDSBNCBMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-9(2)16(3)14(20)19(15(21)18-16)8-12-13(17)10-6-4-5-7-11(10)22-12/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 336.84 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 112844075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).