1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one

C24H28Cl2N2O3 — CID 21200634

IUPAC1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one
SMILESCN1C(=O)N(Cc2ccccc2)CC1(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H28Cl2N2O3/c1-27-23(29)28(16-18-7-3-2-4-8-18)17-24(27,19-10-11-20(25)21(26)15-19)12-14-31-22-9-5-6-13-30-22/h2-4,7-8,10-11,15,22H,5-6,9,12-14,16-17H2,1H3
InChIKeyRFXAYGGFHXEEBJ-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.69
Rot. Bonds7

About 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one

1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one (PubChem CID 21200634) has the molecular formula C24H28Cl2N2O3 and a molecular weight of 463.41 g/mol. Its IUPAC name is 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one
PubChem CID21200634
Molecular FormulaC24H28Cl2N2O3
Molecular Weight463.41 g/mol
Exact Mass462.15
IUPAC Name1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one
SMILESCN1C(=O)N(Cc2ccccc2)CC1(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H28Cl2N2O3/c1-27-23(29)28(16-18-7-3-2-4-8-18)17-24(27,19-10-11-20(25)21(26)15-19)12-14-31-22-9-5-6-13-30-22/h2-4,7-8,10-11,15,22H,5-6,9,12-14,16-17H2,1H3
InChIKeyRFXAYGGFHXEEBJ-UHFFFAOYSA-N
XLogP5.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]piperidin-2-one
CID 19692506
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]-1,3-oxazinan-2-one
CID 21200461
5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one
CID 139771268
[3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]piperidin-1-yl]-phenylmethanone
CID 54102650
(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one
CID 99838086
[3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]azepan-1-yl]-phenylmethanone
CID 22741745
2-[3-(3,4-dichlorophenyl)butoxy]oxane
CID 57302396
2-[4-[(3,4-dichlorophenyl)methylsulfanyl]butoxy]oxane
CID 2794924
(3S)-1-benzyl-3-methyl-3-[2-(oxan-2-yloxy)ethoxymethyl]piperidine;[(3S)-1-benzyl-3-methylpiperidin-3-yl]methanol
CID 161228896
3-benzyl-5-(3,4-dichlorophenyl)-5-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-1,3-oxazinan-2-one
CID 69120718
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one (CID 21200634) is 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one is CN1C(=O)N(Cc2ccccc2)CC1(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one?
The InChIKey is RFXAYGGFHXEEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O3/c1-27-23(29)28(16-18-7-3-2-4-8-18)17-24(27,19-10-11-20(25)21(26)15-19)12-14-31-22-9-5-6-13-30-22/h2-4,7-8,10-11,15,22H,5-6,9,12-14,16-17H2,1H3.
What are the key properties of 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one?
1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one has a molecular weight of 463.41 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 21200634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).