1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine

C30H29ClN2O — CID 3953341

IUPAC1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
SMILESClc1ccc(COc2ccccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C30H29ClN2O/c31-27-17-15-26(16-18-27)23-34-29-14-8-7-13-28(29)30-32(21-24-9-3-1-4-10-24)19-20-33(30)22-25-11-5-2-6-12-25/h1-18,30H,19-23H2
InChIKeyBXLRTQYQYBUCTR-UHFFFAOYSA-N
MW469.03 g/mol
LogP6.94
Rot. Bonds8

About 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine

1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine (PubChem CID 3953341) has the molecular formula C30H29ClN2O and a molecular weight of 469.03 g/mol. Its IUPAC name is 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
PubChem CID3953341
Molecular FormulaC30H29ClN2O
Molecular Weight469.03 g/mol
Exact Mass468.20
IUPAC Name1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
SMILESClc1ccc(COc2ccccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C30H29ClN2O/c31-27-17-15-26(16-18-27)23-34-29-14-8-7-13-28(29)30-32(21-24-9-3-1-4-10-24)19-20-33(30)22-25-11-5-2-6-12-25/h1-18,30H,19-23H2
InChIKeyBXLRTQYQYBUCTR-UHFFFAOYSA-N
XLogP6.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.03
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazolidine, 1,3-dibenzyl-2-(3-benzyloxyphenyl)-
CID 563624
1,3-Bis[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)imidazolidine
CID 224437
1-[(4-Chlorophenyl)-phenylmethyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 11689993
Piperazine, 1-(chlorodibenz(b,f)oxepin-10-yl)-4-((2-chlorophenyl)methyl)-
CID 3044244
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
2-(3-Chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
CID 12062832
2-(4-Chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
CID 44456504
2-(2-Chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
CID 44456654
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N'-methylethane-1,2-diamine;dihydrochloride
CID 177655963
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;dihydrochloride
CID 177656208
1,3-Dibenzyl-2-(2-methoxyphenyl)imidazolidine
CID 563629
1,3-dibenzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazolidine
CID 1043832

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine (CID 3953341) is 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine is Clc1ccc(COc2ccccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine?
The InChIKey is BXLRTQYQYBUCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN2O/c31-27-17-15-26(16-18-27)23-34-29-14-8-7-13-28(29)30-32(21-24-9-3-1-4-10-24)19-20-33(30)22-25-11-5-2-6-12-25/h1-18,30H,19-23H2.
What are the key properties of 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine?
1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine has a molecular weight of 469.03 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine is sourced from PubChem (CID 3953341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).