(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione

C22H23N3O3 — CID 6370397

IUPAC(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-16-2-4-18(5-3-16)15-25-21(26)20(23-22(25)27)14-17-6-8-19(9-7-17)24-10-12-28-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,23,27)/b20-14-
InChIKeyNKIRSLHTUJTACL-ZHZULCJRSA-N
MW377.44 g/mol
LogP2.92
Rot. Bonds4

About (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6370397) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6370397
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-16-2-4-18(5-3-16)15-25-21(26)20(23-22(25)27)14-17-6-8-19(9-7-17)24-10-12-28-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,23,27)/b20-14-
InChIKeyNKIRSLHTUJTACL-ZHZULCJRSA-N
XLogP2.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 6370397) is (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is NKIRSLHTUJTACL-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-2-4-18(5-3-16)15-25-21(26)20(23-22(25)27)14-17-6-8-19(9-7-17)24-10-12-28-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,23,27)/b20-14-.
What are the key properties of (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 377.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6370397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).