5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C24H24N4O4 — CID 146129813

IUPAC5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1cccc2nc(C3CCN(C(=O)c4cccc(C5(C)NC(=O)NC5=O)c4)CC3)oc12
InChIInChI=1S/C24H24N4O4/c1-14-5-3-8-18-19(14)32-20(25-18)15-9-11-28(12-10-15)21(29)16-6-4-7-17(13-16)24(2)22(30)26-23(31)27-24/h3-8,13,15H,9-12H2,1-2H3,(H2,26,27,30,31)
InChIKeyWPIWXQOHQGHKGI-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 146129813) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID146129813
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1cccc2nc(C3CCN(C(=O)c4cccc(C5(C)NC(=O)NC5=O)c4)CC3)oc12
InChIInChI=1S/C24H24N4O4/c1-14-5-3-8-18-19(14)32-20(25-18)15-9-11-28(12-10-15)21(29)16-6-4-7-17(13-16)24(2)22(30)26-23(31)27-24/h3-8,13,15H,9-12H2,1-2H3,(H2,26,27,30,31)
InChIKeyWPIWXQOHQGHKGI-UHFFFAOYSA-N
XLogP3.21
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 120512322
4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833714
(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134495094
6-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514764
5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494385
4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833713
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 99788818
5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 136547308
5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 154863979
5-[3-(8-bromo-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 154850198
3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 166182755

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 146129813) is 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is Cc1cccc2nc(C3CCN(C(=O)c4cccc(C5(C)NC(=O)NC5=O)c4)CC3)oc12.
What is the InChIKey of 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is WPIWXQOHQGHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-5-3-8-18-19(14)32-20(25-18)15-9-11-28(12-10-15)21(29)16-6-4-7-17(13-16)24(2)22(30)26-23(31)27-24/h3-8,13,15H,9-12H2,1-2H3,(H2,26,27,30,31).
What are the key properties of 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 432.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146129813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).