1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine

C23H23ClN2 — CID 1035227

IUPAC1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine
SMILESClc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2/c24-22-13-11-21(12-14-22)23-25(17-19-7-3-1-4-8-19)15-16-26(23)18-20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyBUHULRAITXLXJH-UHFFFAOYSA-N
MW362.90 g/mol
LogP5.36
Rot. Bonds5

About 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine

1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine (PubChem CID 1035227) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine
PubChem CID1035227
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine
SMILESClc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2/c24-22-13-11-21(12-14-22)23-25(17-19-7-3-1-4-8-19)15-16-26(23)18-20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyBUHULRAITXLXJH-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-(4-chlorophenyl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine (CID 1035227) is 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine is Clc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine?
The InChIKey is BUHULRAITXLXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2/c24-22-13-11-21(12-14-22)23-25(17-19-7-3-1-4-8-19)15-16-26(23)18-20-9-5-2-6-10-20/h1-14,23H,15-18H2.
What are the key properties of 1,3-dibenzyl-2-(4-chlorophenyl)imidazolidine?
1,3-dibenzyl-2-(4-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-(4-chlorophenyl)imidazolidine is sourced from PubChem (CID 1035227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).