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

C24H33ClN2 — CID 138636909

IUPAC2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(C)(C)Cl)c(C)c1
InChIInChI=1S/C24H33ClN2/c1-15-11-17(3)21(18(4)12-15)26-9-10-27(23(26)24(7,8)25)22-19(5)13-16(2)14-20(22)6/h11-14,23H,9-10H2,1-8H3
InChIKeyCGEZQWYWDWGJTH-UHFFFAOYSA-N
MW385.00 g/mol
LogP6.21
Rot. Bonds3

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

2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 138636909) has the molecular formula C24H33ClN2 and a molecular weight of 385.00 g/mol. Its IUPAC name is 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID138636909
Molecular FormulaC24H33ClN2
Molecular Weight385.00 g/mol
Exact Mass384.23
IUPAC Name2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(C)(C)Cl)c(C)c1
InChIInChI=1S/C24H33ClN2/c1-15-11-17(3)21(18(4)12-15)26-9-10-27(23(26)24(7,8)25)22-19(5)13-16(2)14-20(22)6/h11-14,23H,9-10H2,1-8H3
InChIKeyCGEZQWYWDWGJTH-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.00
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 138636909) is 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(C)(C)Cl)c(C)c1.
What is the InChIKey of 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is CGEZQWYWDWGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2/c1-15-11-17(3)21(18(4)12-15)26-9-10-27(23(26)24(7,8)25)22-19(5)13-16(2)14-20(22)6/h11-14,23H,9-10H2,1-8H3.
What are the key properties of 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 385.00 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 138636909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).