2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine

C23H21Cl3N2 — CID 12062836

IUPAC2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H21Cl3N2/c24-20-8-4-17(5-9-20)15-27-12-13-28(16-18-6-10-21(25)11-7-18)23(27)19-2-1-3-22(26)14-19/h1-11,14,23H,12-13,15-16H2
InChIKeyFJTLSLROWYUKAH-UHFFFAOYSA-N
MW431.79 g/mol
LogP6.66
Rot. Bonds5

About 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine

2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine (PubChem CID 12062836) has the molecular formula C23H21Cl3N2 and a molecular weight of 431.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
PubChem CID12062836
Molecular FormulaC23H21Cl3N2
Molecular Weight431.79 g/mol
Exact Mass430.08
IUPAC Name2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H21Cl3N2/c24-20-8-4-17(5-9-20)15-27-12-13-28(16-18-6-10-21(25)11-7-18)23(27)19-2-1-3-22(26)14-19/h1-11,14,23H,12-13,15-16H2
InChIKeyFJTLSLROWYUKAH-UHFFFAOYSA-N
XLogP6.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.79
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 127045288
2-(4-Chlorophenyl)-1,3-diphenylimidazolidine
CID 52813
1,3-Dibenzyl-2-phenylimidazolidine
CID 20726
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
1-Benzyl-4-[(4-chlorophenyl)methyl]piperazine
CID 764613
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 11725919
(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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine?
The IUPAC name of 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine (CID 12062836) is 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine is Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine?
The InChIKey is FJTLSLROWYUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2/c24-20-8-4-17(5-9-20)15-27-12-13-28(16-18-6-10-21(25)11-7-18)23(27)19-2-1-3-22(26)14-19/h1-11,14,23H,12-13,15-16H2.
What are the key properties of 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine?
2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine has a molecular weight of 431.79 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine is sourced from PubChem (CID 12062836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).