(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione

C27H26N4O3 — CID 71214316

IUPAC(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(CN3CCNCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H26N4O3/c32-26-25(18-20-6-8-21(9-7-20)19-30-16-14-28-15-17-30)29-27(33)31(26)22-10-12-24(13-11-22)34-23-4-2-1-3-5-23/h1-13,18,28H,14-17,19H2,(H,29,33)/b25-18-
InChIKeyOIVYPSKTFVWEQD-BWAHOGKJSA-N
MW454.53 g/mol
LogP3.98
Rot. Bonds6

About (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione

(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 71214316) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID71214316
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccc(CN3CCNCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H26N4O3/c32-26-25(18-20-6-8-21(9-7-20)19-30-16-14-28-15-17-30)29-27(33)31(26)22-10-12-24(13-11-22)34-23-4-2-1-3-5-23/h1-13,18,28H,14-17,19H2,(H,29,33)/b25-18-
InChIKeyOIVYPSKTFVWEQD-BWAHOGKJSA-N
XLogP3.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione (CID 71214316) is (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2ccc(CN3CCNCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is OIVYPSKTFVWEQD-BWAHOGKJSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-26-25(18-20-6-8-21(9-7-20)19-30-16-14-28-15-17-30)29-27(33)31(26)22-10-12-24(13-11-22)34-23-4-2-1-3-5-23/h1-13,18,28H,14-17,19H2,(H,29,33)/b25-18-.
What are the key properties of (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 454.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 71214316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).