1-[(4-chlorophenyl)methyl]imidazolidine-2-thione

C10H11ClN2S — CID 46230806

IUPAC1-[(4-chlorophenyl)methyl]imidazolidine-2-thione
SMILESS=C1NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
InChIKeyWVPKXFALOFLEAT-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.03
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione

1-[(4-chlorophenyl)methyl]imidazolidine-2-thione (PubChem CID 46230806) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]imidazolidine-2-thione
PubChem CID46230806
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name1-[(4-chlorophenyl)methyl]imidazolidine-2-thione
SMILESS=C1NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
InChIKeyWVPKXFALOFLEAT-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione (CID 46230806) is 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione is S=C1NCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione?
The InChIKey is WVPKXFALOFLEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14).
What are the key properties of 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione?
1-[(4-chlorophenyl)methyl]imidazolidine-2-thione has a molecular weight of 226.73 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]imidazolidine-2-thione is sourced from PubChem (CID 46230806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).