(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

C26H33N5O4 — CID 70686183

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CC(O)CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3)C2=O)CC1
InChIInChI=1S/C26H33N5O4/c1-28(2)20-10-8-19(9-11-20)16-22-25(33)31(26(34)27-22)18-21(32)17-29-12-14-30(15-13-29)23-6-4-5-7-24(23)35-3/h4-11,16,21,32H,12-15,17-18H2,1-3H3,(H,27,34)/b22-16-
InChIKeyLNMISJNHLOEAAR-JWGURIENSA-N
MW479.58 g/mol
LogP1.84
Rot. Bonds8

About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 70686183) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID70686183
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CC(O)CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3)C2=O)CC1
InChIInChI=1S/C26H33N5O4/c1-28(2)20-10-8-19(9-11-20)16-22-25(33)31(26(34)27-22)18-21(32)17-29-12-14-30(15-13-29)23-6-4-5-7-24(23)35-3/h4-11,16,21,32H,12-15,17-18H2,1-3H3,(H,27,34)/b22-16-
InChIKeyLNMISJNHLOEAAR-JWGURIENSA-N
XLogP1.84
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(2-hydroxy-3-piperazin-1-ylpropyl)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;dihydrochloride
CID 71508207
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 13304413
(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride
CID 158616434
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
(5E)-3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050342
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione
CID 74226848
3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 11342048
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 70686183) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is COc1ccccc1N1CCN(CC(O)CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3)C2=O)CC1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is LNMISJNHLOEAAR-JWGURIENSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-28(2)20-10-8-19(9-11-20)16-22-25(33)31(26(34)27-22)18-21(32)17-29-12-14-30(15-13-29)23-6-4-5-7-24(23)35-3/h4-11,16,21,32H,12-15,17-18H2,1-3H3,(H,27,34)/b22-16-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 479.58 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70686183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).