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

C21H19N5O4 — CID 162904117

IUPAC5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(=Nc2nc(Cc3ccc(O)cc3)cn2Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C21H19N5O4/c1-25-19(29)18(24-21(25)30)23-20-22-15(10-13-2-6-16(27)7-3-13)12-26(20)11-14-4-8-17(28)9-5-14/h2-9,12,27-28H,10-11H2,1H3,(H,22,23,24,30)
InChIKeyMQJROUNNFORFQI-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.14
Rot. Bonds5

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

5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 162904117) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID162904117
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(=Nc2nc(Cc3ccc(O)cc3)cn2Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C21H19N5O4/c1-25-19(29)18(24-21(25)30)23-20-22-15(10-13-2-6-16(27)7-3-13)12-26(20)11-14-4-8-17(28)9-5-14/h2-9,12,27-28H,10-11H2,1H3,(H,22,23,24,30)
InChIKeyMQJROUNNFORFQI-UHFFFAOYSA-N
XLogP2.14
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
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 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 162904117) is 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(=Nc2nc(Cc3ccc(O)cc3)cn2Cc2ccc(O)cc2)C1=O.
What is the InChIKey of 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is MQJROUNNFORFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-25-19(29)18(24-21(25)30)23-20-22-15(10-13-2-6-16(27)7-3-13)12-26(20)11-14-4-8-17(28)9-5-14/h2-9,12,27-28H,10-11H2,1H3,(H,22,23,24,30).
What are the key properties of 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 405.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 162904117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).