(5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

C22H21N5O4 — CID 135512509

IUPAC(5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2cn(Cc3ccc(O)cc3)c(/N=C3\NC(=O)N(C)C3=O)n2)cc1
InChIInChI=1S/C22H21N5O4/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15/h3-10,13,28H,11-12H2,1-2H3,(H,23,24,25,30)
InChIKeyZKILOUUCRGDELO-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.45
Rot. Bonds6

About (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

(5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135512509) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID135512509
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name(5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2cn(Cc3ccc(O)cc3)c(/N=C3\NC(=O)N(C)C3=O)n2)cc1
InChIInChI=1S/C22H21N5O4/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15/h3-10,13,28H,11-12H2,1-2H3,(H,23,24,25,30)
InChIKeyZKILOUUCRGDELO-UHFFFAOYSA-N
XLogP2.45
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135512509) is (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is COc1ccc(Cc2cn(Cc3ccc(O)cc3)c(/N=C3\NC(=O)N(C)C3=O)n2)cc1.
What is the InChIKey of (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is ZKILOUUCRGDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15/h3-10,13,28H,11-12H2,1-2H3,(H,23,24,25,30).
What are the key properties of (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
(5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 419.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135512509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).