1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione

C23H23N3O3 — CID 67172819

IUPAC1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione
SMILESCc1cc(CN2CC(=O)N(C)C2=O)ccc1-c1ccc2c(c1)CN(C1CC1)C2=O
InChIInChI=1S/C23H23N3O3/c1-14-9-15(11-25-13-21(27)24(2)23(25)29)3-7-19(14)16-4-8-20-17(10-16)12-26(22(20)28)18-5-6-18/h3-4,7-10,18H,5-6,11-13H2,1-2H3
InChIKeyBDKQRUAWEKUPMQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.17
Rot. Bonds4

About 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione

1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 67172819) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione
PubChem CID67172819
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione
SMILESCc1cc(CN2CC(=O)N(C)C2=O)ccc1-c1ccc2c(c1)CN(C1CC1)C2=O
InChIInChI=1S/C23H23N3O3/c1-14-9-15(11-25-13-21(27)24(2)23(25)29)3-7-19(14)16-4-8-20-17(10-16)12-26(22(20)28)18-5-6-18/h3-4,7-10,18H,5-6,11-13H2,1-2H3
InChIKeyBDKQRUAWEKUPMQ-UHFFFAOYSA-N
XLogP3.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one
CID 123727920
2-cyclopropyl-5-(5-methyl-1-phenyltriazol-4-yl)-3H-isoindol-1-one
CID 23158371
2-cyclobutyl-5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-3H-isoindol-1-one
CID 123872119
5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338818
4-[(3-methyl-2,4-dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 58978239
4-[2-(1-ethylpiperidin-4-yl)-1-oxo-3H-isoindol-5-yl]benzonitrile
CID 25221204
ethane;5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338817
2-cyclopropyl-5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
CID 23158354
1-[(4-bromophenyl)methyl]-3-methylimidazolidine-2,4-dione;5-bromo-2-propan-2-yl-3H-isoindol-1-one;3-methyl-1-[[4-(1-oxo-2-propan-2-yl-3H-isoindol-5-yl)phenyl]methyl]imidazolidine-2,4-dione;3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158473406
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
1-[[4-[4-bromo-1-(2-cyclopropylethyl)benzotriazol-5-yl]phenyl]methyl]-3-methylimidazolidine-2,4-dione
CID 71002311
5-[1-(4-chloro-2-fluorophenyl)-5-methyltriazol-4-yl]-2-cyclopropyl-3H-isoindol-1-one
CID 23158117

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione (CID 67172819) is 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione is Cc1cc(CN2CC(=O)N(C)C2=O)ccc1-c1ccc2c(c1)CN(C1CC1)C2=O.
What is the InChIKey of 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is BDKQRUAWEKUPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-9-15(11-25-13-21(27)24(2)23(25)29)3-7-19(14)16-4-8-20-17(10-16)12-26(22(20)28)18-5-6-18/h3-4,7-10,18H,5-6,11-13H2,1-2H3.
What are the key properties of 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione?
1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 67172819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).