(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione

C21H19N5O4 — CID 24888849

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3nc4ccccc4n3C)NC(=O)NC1=O)C2
InChIInChI=1S/C21H19N5O4/c1-25-16-6-4-3-5-15(16)22-18(25)21(19(28)23-20(29)24-21)11-26-10-12-7-8-13(30-2)9-14(12)17(26)27/h3-9H,10-11H2,1-2H3,(H2,23,24,28,29)/t21-/m0/s1
InChIKeyPAPXDAGAIOIGMJ-NRFANRHFSA-N
MW405.41 g/mol
LogP1.27
Rot. Bonds4

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione (PubChem CID 24888849) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
PubChem CID24888849
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3nc4ccccc4n3C)NC(=O)NC1=O)C2
InChIInChI=1S/C21H19N5O4/c1-25-16-6-4-3-5-15(16)22-18(25)21(19(28)23-20(29)24-21)11-26-10-12-7-8-13(30-2)9-14(12)17(26)27/h3-9H,10-11H2,1-2H3,(H2,23,24,28,29)/t21-/m0/s1
InChIKeyPAPXDAGAIOIGMJ-NRFANRHFSA-N
XLogP1.27
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-1H-1,3-benzodiazole
CID 24776346
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(2-methylpropyl)-1H-1,3-benzodiazole
CID 24776347
2-ethyl-1-[(3R)-1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776351
(R)-5-((3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941225
(R)-5-((1H-benzo[d]imidazol-5-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52947420
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole
CID 24776350
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-methyl-1H-1,3-benzodiazole
CID 24776345
2-ethyl-1-[(3S)-1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776352
2-ethyl-1-[(3R)-1-{[5-(trifluoromethoxy)-1H-indol-2-yl]carbonyl}pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776356
2-(4-Methoxy-phenyl)-1-methyl-1H-benzoimidazole-4-carboxylic acid amide
CID 10540772
N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-3-methoxybenzamide
CID 44588767

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione (CID 24888849) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3nc4ccccc4n3C)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is PAPXDAGAIOIGMJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-25-16-6-4-3-5-15(16)22-18(25)21(19(28)23-20(29)24-21)11-26-10-12-7-8-13(30-2)9-14(12)17(26)27/h3-9H,10-11H2,1-2H3,(H2,23,24,28,29)/t21-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 405.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 24888849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).