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

C26H32N4O5 — CID 118051679

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\NC(=O)N(CCCN3CCN(c4ccccc4OC)CC3)C2=O)cc1OC
InChIInChI=1S/C26H32N4O5/c1-33-22-8-5-4-7-21(22)29-15-13-28(14-16-29)11-6-12-30-25(31)20(27-26(30)32)17-19-9-10-23(34-2)24(18-19)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,32)/b20-17-
InChIKeyPFOSQCWAYUQWIC-JZJYNLBNSA-N
MW480.57 g/mol
LogP2.82
Rot. Bonds9

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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 118051679) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID118051679
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\NC(=O)N(CCCN3CCN(c4ccccc4OC)CC3)C2=O)cc1OC
InChIInChI=1S/C26H32N4O5/c1-33-22-8-5-4-7-21(22)29-15-13-28(14-16-29)11-6-12-30-25(31)20(27-26(30)32)17-19-9-10-23(34-2)24(18-19)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,32)/b20-17-
InChIKeyPFOSQCWAYUQWIC-JZJYNLBNSA-N
XLogP2.82
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 118051679) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is COc1ccc(/C=C2\NC(=O)N(CCCN3CCN(c4ccccc4OC)CC3)C2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is PFOSQCWAYUQWIC-JZJYNLBNSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-33-22-8-5-4-7-21(22)29-15-13-28(14-16-29)11-6-12-30-25(31)20(27-26(30)32)17-19-9-10-23(34-2)24(18-19)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,32)/b20-17-.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 480.57 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118051679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).