1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione

C21H26N2S — CID 11450610

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=S)c(C)c1
InChIInChI=1S/C21H26N2S/c1-13-9-15(3)19(16(4)10-13)22-7-8-23(21(22)24)20-17(5)11-14(2)12-18(20)6/h9-12H,7-8H2,1-6H3
InChIKeyORWFDQWAAOHDEC-UHFFFAOYSA-N
MW338.52 g/mol
LogP5.15
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione

1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione (PubChem CID 11450610) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione
PubChem CID11450610
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=S)c(C)c1
InChIInChI=1S/C21H26N2S/c1-13-9-15(3)19(16(4)10-13)22-7-8-23(21(22)24)20-17(5)11-14(2)12-18(20)6/h9-12H,7-8H2,1-6H3
InChIKeyORWFDQWAAOHDEC-UHFFFAOYSA-N
XLogP5.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
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 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione (CID 11450610) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=S)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione?
The InChIKey is ORWFDQWAAOHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-13-9-15(3)19(16(4)10-13)22-7-8-23(21(22)24)20-17(5)11-14(2)12-18(20)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione?
1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione has a molecular weight of 338.52 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidine-2-thione is sourced from PubChem (CID 11450610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).