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

C24H25N5O4 — CID 135517474

IUPAC(5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25N5O4/c1-28-20(14-16-7-11-18(33-4)12-8-16)19(13-15-5-9-17(32-3)10-6-15)25-23(28)26-21-22(30)29(2)24(31)27-21/h5-12H,13-14H2,1-4H3,(H,25,26,27,31)
InChIKeyODJQUXDOPVQPQZ-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.83
Rot. Bonds7

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

(5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135517474) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID135517474
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name(5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25N5O4/c1-28-20(14-16-7-11-18(33-4)12-8-16)19(13-15-5-9-17(32-3)10-6-15)25-23(28)26-21-22(30)29(2)24(31)27-21/h5-12H,13-14H2,1-4H3,(H,25,26,27,31)
InChIKeyODJQUXDOPVQPQZ-UHFFFAOYSA-N
XLogP2.83
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
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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Related Compounds

Leucettamidine
CID 20704716
Pyronaamidine
CID 135497146
Isonaamidine E
CID 135517487
Naamidine A
CID 135455949
5-[1-(4-Hydroxy-benzyl)-4-(4-methoxy-benzyl)-1H-imidazol-2-ylamino]-3-methyl-imidazole-2,4-dione
CID 135512509
4-{[1,4-bis(4-methoxybenzyl)-1H-imidazol-2-yl]amino}-1-methyl-1H-imidazole-2,5-dione
CID 135434086
Naamidine H
CID 135846070
Naamine A
CID 10019087
(5E)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methyl-imidazolidine-2,4-dione
CID 135508883
Zamamidine B
CID 135511072
Naamidine G
CID 135511073
CID 136846713
CID 136846713

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135517474) is (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is COc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is ODJQUXDOPVQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-28-20(14-16-7-11-18(33-4)12-8-16)19(13-15-5-9-17(32-3)10-6-15)25-23(28)26-21-22(30)29(2)24(31)27-21/h5-12H,13-14H2,1-4H3,(H,25,26,27,31).
What are the key properties of (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
(5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 447.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).