(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C28H25N5O4 — CID 90923035

IUPAC(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5cc(C)c6nn(C)cc6c5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C28H25N5O4/c1-16-10-19(11-20-13-32(2)31-24(16)20)17-4-7-21(8-5-17)28(26(35)29-27(36)30-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34/h4-14,34H,15H2,1-3H3,(H2,29,30,35,36)/t28-/m0/s1
InChIKeyXZGQABXKWTVWMU-NDEPHWFRSA-N
MW495.54 g/mol
LogP3.95
Rot. Bonds5

About (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90923035) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90923035
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC Name(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5cc(C)c6nn(C)cc6c5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C28H25N5O4/c1-16-10-19(11-20-13-32(2)31-24(16)20)17-4-7-21(8-5-17)28(26(35)29-27(36)30-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34/h4-14,34H,15H2,1-3H3,(H2,29,30,35,36)/t28-/m0/s1
InChIKeyXZGQABXKWTVWMU-NDEPHWFRSA-N
XLogP3.95
TPSA110.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
CID 91571638
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 91035515
5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90972982
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
CID 90865001
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90923035) is (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4ccc(-c5cc(C)c6nn(C)cc6c5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XZGQABXKWTVWMU-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-16-10-19(11-20-13-32(2)31-24(16)20)17-4-7-21(8-5-17)28(26(35)29-27(36)30-28)15-33-14-18-6-9-22(37-3)12-23(18)25(33)34/h4-14,34H,15H2,1-3H3,(H2,29,30,35,36)/t28-/m0/s1.
What are the key properties of (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 495.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90923035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).