1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine

C24H23ClN2O2 — CID 171985623

IUPAC1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine
SMILESClc1cc2c(cc1C1N(Cc3ccccc3)CCN1Cc1ccccc1)OCO2
InChIInChI=1S/C24H23ClN2O2/c25-21-14-23-22(28-17-29-23)13-20(21)24-26(15-18-7-3-1-4-8-18)11-12-27(24)16-19-9-5-2-6-10-19/h1-10,13-14,24H,11-12,15-17H2
InChIKeyWHUSFHQQJNJZQE-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.09
Rot. Bonds5

About 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine

1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine (PubChem CID 171985623) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine
PubChem CID171985623
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine
SMILESClc1cc2c(cc1C1N(Cc3ccccc3)CCN1Cc1ccccc1)OCO2
InChIInChI=1S/C24H23ClN2O2/c25-21-14-23-22(28-17-29-23)13-20(21)24-26(15-18-7-3-1-4-8-18)11-12-27(24)16-19-9-5-2-6-10-19/h1-10,13-14,24H,11-12,15-17H2
InChIKeyWHUSFHQQJNJZQE-UHFFFAOYSA-N
XLogP5.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-9-chloro-4-(6-chloro-1,3-benzodioxol-5-yl)-2,4,5,6-tetrahydro-1H-benzo[c][2,7]naphthyridine
CID 143312503
1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631
(2S)-2-(6-chloro-1,3-benzodioxol-5-yl)-5-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine
CID 31134558
2-(1,3-dibenzylimidazolidin-2-yl)-5-(diethylamino)phenol
CID 1247119
[(1R,3R)-3-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
CID 142775783
1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
CID 3953341
2-(1,3-dibenzylimidazolidin-2-yl)pyridine
CID 11370900
[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711340
6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
CID 141348603
1,3-benzodioxol-5-yl-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72881423
2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 4689898
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine (CID 171985623) is 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine is Clc1cc2c(cc1C1N(Cc3ccccc3)CCN1Cc1ccccc1)OCO2.
What is the InChIKey of 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine?
The InChIKey is WHUSFHQQJNJZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-21-14-23-22(28-17-29-23)13-20(21)24-26(15-18-7-3-1-4-8-18)11-12-27(24)16-19-9-5-2-6-10-19/h1-10,13-14,24H,11-12,15-17H2.
What are the key properties of 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine?
1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine has a molecular weight of 406.91 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(6-chloro-1,3-benzodioxol-5-yl)imidazolidine is sourced from PubChem (CID 171985623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).