3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione

C15H13ClN2O2S — CID 87022751

IUPAC3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H13ClN2O2S/c16-14-10-3-1-2-4-11(10)21-12(14)7-18-13(19)8-17(15(18)20)9-5-6-9/h1-4,9H,5-8H2
InChIKeyBSZCKNBCCKPYLN-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.48
Rot. Bonds3

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

3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022751) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022751
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H13ClN2O2S/c16-14-10-3-1-2-4-11(10)21-12(14)7-18-13(19)8-17(15(18)20)9-5-6-9/h1-4,9H,5-8H2
InChIKeyBSZCKNBCCKPYLN-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(1-benzothiophen-2-yl)ethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 137956368
1-[(7-Fluoro-1-benzothiophen-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 71973738
3-[(5-Fluoro-1-benzothiophen-2-yl)methyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 137988950
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 17488209
3-[(3-Chloro-1-benzothiophen-2-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43035832
N-[(3-chloro-1-benzothien-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
CID 56711919
N~1~-[(3-chloro-1-benzothien-2-yl)methyl]-N~1~,N~2~-dimethylglycinamide
CID 56865105
(5E)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1778489
3-Benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 4692841
(5Z)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5576958
(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl-[(5-chlorothiophen-2-yl)methyl]-ethylazanium
CID 9171493
1-Benzyl-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]imidazolidine-2,4,5-trione
CID 9171494

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022751) is 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1sc2ccccc2c1Cl.
What is the InChIKey of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is BSZCKNBCCKPYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-14-10-3-1-2-4-11(10)21-12(14)7-18-13(19)8-17(15(18)20)9-5-6-9/h1-4,9H,5-8H2.
What are the key properties of 3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 320.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 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]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).