1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine

C23H20Cl4N2 — CID 11511032

IUPAC1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)C2c2ccccc2)cc1Cl
InChIInChI=1S/C23H20Cl4N2/c24-19-8-6-16(12-21(19)26)14-28-10-11-29(23(28)18-4-2-1-3-5-18)15-17-7-9-20(25)22(27)13-17/h1-9,12-13,23H,10-11,14-15H2
InChIKeyVAXCTUWFQHHDNN-UHFFFAOYSA-N
MW466.24 g/mol
LogP7.32
Rot. Bonds5

About 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine

1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine (PubChem CID 11511032) has the molecular formula C23H20Cl4N2 and a molecular weight of 466.24 g/mol. Its IUPAC name is 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine.

Molecular Properties

Compound Name1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine
PubChem CID11511032
Molecular FormulaC23H20Cl4N2
Molecular Weight466.24 g/mol
Exact Mass464.04
IUPAC Name1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)C2c2ccccc2)cc1Cl
InChIInChI=1S/C23H20Cl4N2/c24-19-8-6-16(12-21(19)26)14-28-10-11-29(23(28)18-4-2-1-3-5-18)15-17-7-9-20(25)22(27)13-17/h1-9,12-13,23H,10-11,14-15H2
InChIKeyVAXCTUWFQHHDNN-UHFFFAOYSA-N
XLogP7.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.24
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
(3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 15113313
Allyl-[2-(3,4-dichloro-phenyl)-ethyl]-(2-pyrrolidin-1-yl-ethyl)-amine
CID 9797436
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 398578
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 398588
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 11725919
1,4-Bis-[2-(3,4-dichloro-phenyl)-ethyl]-piperazine
CID 44314603
(3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-cyclohexyl)-amine
CID 44334211
4-benzyl-1-[3-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-3,6-dihydro-2H-pyridine
CID 118714017
2-(4-Chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
CID 224434
1,3-Bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 12062835
2-(3-Chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
CID 12062836

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine?
The IUPAC name of 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine (CID 11511032) is 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine.
What is the SMILES notation for 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine?
The canonical SMILES for 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine is Clc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)C2c2ccccc2)cc1Cl.
What is the InChIKey of 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine?
The InChIKey is VAXCTUWFQHHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl4N2/c24-19-8-6-16(12-21(19)26)14-28-10-11-29(23(28)18-4-2-1-3-5-18)15-17-7-9-20(25)22(27)13-17/h1-9,12-13,23H,10-11,14-15H2.
What are the key properties of 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine?
1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine has a molecular weight of 466.24 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine is sourced from PubChem (CID 11511032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).