1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine

C23H23ClN2 — CID 1069260

IUPAC1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine
SMILESClc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C23H23ClN2/c24-22-14-8-7-13-21(22)23-25(17-19-9-3-1-4-10-19)15-16-26(23)18-20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyZOVAIRVHHRBJCG-UHFFFAOYSA-N
MW362.90 g/mol
LogP5.36
Rot. Bonds5

About 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine

1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine (PubChem CID 1069260) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine
PubChem CID1069260
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine
SMILESClc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C23H23ClN2/c24-22-14-8-7-13-21(22)23-25(17-19-9-3-1-4-10-19)15-16-26(23)18-20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyZOVAIRVHHRBJCG-UHFFFAOYSA-N
XLogP5.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine (CID 1069260) is 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine is Clc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine?
The InChIKey is ZOVAIRVHHRBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2/c24-22-14-8-7-13-21(22)23-25(17-19-9-3-1-4-10-19)15-16-26(23)18-20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine?
1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine has a molecular weight of 362.90 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(2-chlorophenyl)imidazolidine is sourced from PubChem (CID 1069260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).