(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C14H17N3O2 — CID 124585523

IUPAC(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(c2ccc(CN)cc2)C1=O
InChIInChI=1S/C14H17N3O2/c1-14(10-4-5-10)12(18)17(13(19)16-14)11-6-2-9(8-15)3-7-11/h2-3,6-7,10H,4-5,8,15H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyIUGNOUXIEPLKPC-CQSZACIVSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds3

About (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 124585523) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID124585523
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(c2ccc(CN)cc2)C1=O
InChIInChI=1S/C14H17N3O2/c1-14(10-4-5-10)12(18)17(13(19)16-14)11-6-2-9(8-15)3-7-11/h2-3,6-7,10H,4-5,8,15H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyIUGNOUXIEPLKPC-CQSZACIVSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 120913541
1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine
CID 120913562
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]azepane-1-carboximidamide;hydroiodide
CID 120913547
7-[4-(aminomethyl)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81167433
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 120913558
3-[4-(aminomethyl)phenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835328
N'-[[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 120913380
5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione
CID 120972799
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343
5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 106702974
N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-methoxy-2-methylpropanamide
CID 119052883
6-[3-(aminomethyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 80578964

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 124585523) is (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(c2ccc(CN)cc2)C1=O.
What is the InChIKey of (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is IUGNOUXIEPLKPC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(10-4-5-10)12(18)17(13(19)16-14)11-6-2-9(8-15)3-7-11/h2-3,6-7,10H,4-5,8,15H2,1H3,(H,16,19)/t14-/m1/s1.
What are the key properties of (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124585523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).