1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite

C21H27Cl2N3O — CID 175231814

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
SMILESClOCl.[H]/N=C1\CN(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C21H27N3.Cl2O/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6;1-3-2/h7-10,22H,11-12H2,1-6H3;/b22-19+;
InChIKeyTWKJXRJOVACDHC-KWNKHXGFSA-N
MW408.37 g/mol
LogP6.11
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite (PubChem CID 175231814) has the molecular formula C21H27Cl2N3O and a molecular weight of 408.37 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
PubChem CID175231814
Molecular FormulaC21H27Cl2N3O
Molecular Weight408.37 g/mol
Exact Mass407.15
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
SMILESClOCl.[H]/N=C1\CN(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C21H27N3.Cl2O/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6;1-3-2/h7-10,22H,11-12H2,1-6H3;/b22-19+;
InChIKeyTWKJXRJOVACDHC-KWNKHXGFSA-N
XLogP6.11
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite (CID 175231814) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite is ClOCl.[H]/N=C1\CN(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite?
The InChIKey is TWKJXRJOVACDHC-KWNKHXGFSA-N. The full InChI is InChI=1S/C21H27N3.Cl2O/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6;1-3-2/h7-10,22H,11-12H2,1-6H3;/b22-19+;.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite?
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite has a molecular weight of 408.37 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite is sourced from PubChem (CID 175231814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).