3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine

C18H20ClN3 — CID 20512427

IUPAC3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine
SMILES[H]/N=C1/N(c2c(C)cccc2C)CC(C)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3/c1-12-5-4-6-13(2)17(12)21-11-14(3)22(18(21)20)16-9-7-15(19)8-10-16/h4-10,14,20H,11H2,1-3H3/b20-18-
InChIKeyANICMCIRXCKOAV-ZZEZOPTASA-N
MW313.83 g/mol
LogP4.61
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine

3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine (PubChem CID 20512427) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine
PubChem CID20512427
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine
SMILES[H]/N=C1/N(c2c(C)cccc2C)CC(C)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3/c1-12-5-4-6-13(2)17(12)21-11-14(3)22(18(21)20)16-9-7-15(19)8-10-16/h4-10,14,20H,11H2,1-3H3/b20-18-
InChIKeyANICMCIRXCKOAV-ZZEZOPTASA-N
XLogP4.61
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine (CID 20512427) is 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine is [H]/N=C1/N(c2c(C)cccc2C)CC(C)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine?
The InChIKey is ANICMCIRXCKOAV-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20ClN3/c1-12-5-4-6-13(2)17(12)21-11-14(3)22(18(21)20)16-9-7-15(19)8-10-16/h4-10,14,20H,11H2,1-3H3/b20-18-.
What are the key properties of 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine?
3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine has a molecular weight of 313.83 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine is sourced from PubChem (CID 20512427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).