1-benzylimidazolidine-2-thione

C10H12N2S — CID 2806608

IUPAC1-benzylimidazolidine-2-thione
SMILESS=C1NCCN1Cc1ccccc1
InChIInChI=1S/C10H12N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKeyXNPVCJCUZCIAIH-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.38
Rot. Bonds2

About 1-benzylimidazolidine-2-thione

1-benzylimidazolidine-2-thione (PubChem CID 2806608) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-benzylimidazolidine-2-thione.

Molecular Properties

Compound Name1-benzylimidazolidine-2-thione
PubChem CID2806608
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-benzylimidazolidine-2-thione
SMILESS=C1NCCN1Cc1ccccc1
InChIInChI=1S/C10H12N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKeyXNPVCJCUZCIAIH-UHFFFAOYSA-N
XLogP1.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibenzylthiourea
CID 838375
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Imidazole-2-thiol, 4-phenyl-
CID 1132611
N-Benzylethylenediamine
CID 77801
N-(Phenylmethyl)thiourea
CID 737375
(2-Phenylethyl)thiourea
CID 735845
1-benzyl-1H-imidazole-2-thiol
CID 667838
5-Benzyl-1,3,5-triazinane-2-thione
CID 674806
1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
N-methyl-N'-phenethylthiourea
CID 2725299
1-Benzylimidazolidin-2-one
CID 231403
3-Benzyl-1,1-dimethyl-2-thiourea
CID 855080

Frequently Asked Questions

What is the IUPAC name of 1-benzylimidazolidine-2-thione?
The IUPAC name of 1-benzylimidazolidine-2-thione (CID 2806608) is 1-benzylimidazolidine-2-thione.
What is the SMILES notation for 1-benzylimidazolidine-2-thione?
The canonical SMILES for 1-benzylimidazolidine-2-thione is S=C1NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzylimidazolidine-2-thione?
The InChIKey is XNPVCJCUZCIAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13).
What are the key properties of 1-benzylimidazolidine-2-thione?
1-benzylimidazolidine-2-thione has a molecular weight of 192.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylimidazolidine-2-thione is sourced from PubChem (CID 2806608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).