(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride

C18H26Cl2N4O4 — CID 71508207

IUPAC(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride
SMILESCOc1ccc(/C=C2\NC(=O)N(CC(O)CN3CCNCC3)C2=O)cc1.Cl.Cl
InChIInChI=1S/C18H24N4O4.2ClH/c1-26-15-4-2-13(3-5-15)10-16-17(24)22(18(25)20-16)12-14(23)11-21-8-6-19-7-9-21;;/h2-5,10,14,19,23H,6-9,11-12H2,1H3,(H,20,25);2*1H/b16-10-;;
InChIKeyKFHNARQBEMMJRD-FLPKAINGSA-N
MW433.34 g/mol
LogP0.70
Rot. Bonds6

About (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride

(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride (PubChem CID 71508207) has the molecular formula C18H26Cl2N4O4 and a molecular weight of 433.34 g/mol. Its IUPAC name is (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride
PubChem CID71508207
Molecular FormulaC18H26Cl2N4O4
Molecular Weight433.34 g/mol
Exact Mass432.13
IUPAC Name(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride
SMILESCOc1ccc(/C=C2\NC(=O)N(CC(O)CN3CCNCC3)C2=O)cc1.Cl.Cl
InChIInChI=1S/C18H24N4O4.2ClH/c1-26-15-4-2-13(3-5-15)10-16-17(24)22(18(25)20-16)12-14(23)11-21-8-6-19-7-9-21;;/h2-5,10,14,19,23H,6-9,11-12H2,1H3,(H,20,25);2*1H/b16-10-;;
InChIKeyKFHNARQBEMMJRD-FLPKAINGSA-N
XLogP0.70
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 70686183
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 5369167
3-cyclopropyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53396065
N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 171479616
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
methyl 2-[4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 126251500
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126233774
methyl 2-[4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 3641214

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride?
The IUPAC name of (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride (CID 71508207) is (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride.
What is the SMILES notation for (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride?
The canonical SMILES for (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride is COc1ccc(/C=C2\NC(=O)N(CC(O)CN3CCNCC3)C2=O)cc1.Cl.Cl.
What is the InChIKey of (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride?
The InChIKey is KFHNARQBEMMJRD-FLPKAINGSA-N. The full InChI is InChI=1S/C18H24N4O4.2ClH/c1-26-15-4-2-13(3-5-15)10-16-17(24)22(18(25)20-16)12-14(23)11-21-8-6-19-7-9-21;;/h2-5,10,14,19,23H,6-9,11-12H2,1H3,(H,20,25);2*1H/b16-10-;;.
What are the key properties of (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride?
(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride has a molecular weight of 433.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 71508207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).