(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one

C21H24Cl2N2O — CID 11784131

IUPAC(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one
SMILESCCCN1C(=O)N(CCC)[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-3-13-24-19(15-5-9-17(22)10-6-15)20(25(14-4-2)21(24)26)16-7-11-18(23)12-8-16/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKeySHVCFSGRQOZZHI-WOJBJXKFSA-N
MW391.34 g/mol
LogP6.33
Rot. Bonds6

About (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one

(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one (PubChem CID 11784131) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one
PubChem CID11784131
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one
SMILESCCCN1C(=O)N(CCC)[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O/c1-3-13-24-19(15-5-9-17(22)10-6-15)20(25(14-4-2)21(24)26)16-7-11-18(23)12-8-16/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKeySHVCFSGRQOZZHI-WOJBJXKFSA-N
XLogP6.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-chlorophenyl)-3-methyl-1-propylpiperidin-2-one
CID 138641914
2,6-dibutyl-1,5-bis(4-chlorophenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 4307358
2-(4-chlorophenyl)-1,3-dipropyl-2H-imidazole
CID 57196534
4-(4-chlorophenyl)-2-oxo-3-propyl-4,5-dihydro-1H-3-benzazepine-5-carboxylic acid
CID 175653616
5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
CID 83242766
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-propylpyrrolidine-2,3-dione
CID 108617771
2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108641581
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-propylpyrrolidine-2,3-dione
CID 108640554
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-propylpyrrolidine-2,3-dione
CID 108641526

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one?
The IUPAC name of (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one (CID 11784131) is (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one is CCCN1C(=O)N(CCC)[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one?
The InChIKey is SHVCFSGRQOZZHI-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-3-13-24-19(15-5-9-17(22)10-6-15)20(25(14-4-2)21(24)26)16-7-11-18(23)12-8-16/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one?
(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one has a molecular weight of 391.34 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one is sourced from PubChem (CID 11784131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).