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'}

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

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

Launch Full Analysis

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).