2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

C25H32N2 — CID 118425635

IUPAC2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESC#CCC1CN(c2c(C)cc(C)cc2C)C(C)N1c1c(C)cc(C)cc1C
InChIInChI=1S/C25H32N2/c1-9-10-23-15-26(24-18(4)11-16(2)12-19(24)5)22(8)27(23)25-20(6)13-17(3)14-21(25)7/h1,11-14,22-23H,10,15H2,2-8H3
InChIKeyJJSFIEYJMBUVGV-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.60
Rot. Bonds3

About 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 118425635) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID118425635
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESC#CCC1CN(c2c(C)cc(C)cc2C)C(C)N1c1c(C)cc(C)cc1C
InChIInChI=1S/C25H32N2/c1-9-10-23-15-26(24-18(4)11-16(2)12-19(24)5)22(8)27(23)25-20(6)13-17(3)14-21(25)7/h1,11-14,22-23H,10,15H2,2-8H3
InChIKeyJJSFIEYJMBUVGV-UHFFFAOYSA-N
XLogP5.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 118425635) is 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is C#CCC1CN(c2c(C)cc(C)cc2C)C(C)N1c1c(C)cc(C)cc1C.
What is the InChIKey of 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is JJSFIEYJMBUVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-9-10-23-15-26(24-18(4)11-16(2)12-19(24)5)22(8)27(23)25-20(6)13-17(3)14-21(25)7/h1,11-14,22-23H,10,15H2,2-8H3.
What are the key properties of 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 360.55 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-ynyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 118425635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).