3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride

C19H27ClN4O3 — CID 120808634

IUPAC3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCC(C)(CN)C3)C2=O)cc1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-13-4-6-14(7-5-13)19(3)16(25)23(17(26)21-19)10-15(24)22-9-8-18(2,11-20)12-22;/h4-7H,8-12,20H2,1-3H3,(H,21,26);1H
InChIKeyIRORPJGNRUVCHF-UHFFFAOYSA-N
MW394.90 g/mol
LogP1.38
Rot. Bonds4

About 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride

3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride (PubChem CID 120808634) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride
PubChem CID120808634
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCC(C)(CN)C3)C2=O)cc1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-13-4-6-14(7-5-13)19(3)16(25)23(17(26)21-19)10-15(24)22-9-8-18(2,11-20)12-22;/h4-7H,8-12,20H2,1-3H3,(H,21,26);1H
InChIKeyIRORPJGNRUVCHF-UHFFFAOYSA-N
XLogP1.38
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120807773
5-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 112791409
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
CID 120806842
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120659910
(5R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2581931
(3S,4S)-4-methyl-1-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 122112536
3-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 166184627
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119395359

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride (CID 120808634) is 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride is Cc1ccc(C2(C)NC(=O)N(CC(=O)N3CCC(C)(CN)C3)C2=O)cc1.Cl.
What is the InChIKey of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride?
The InChIKey is IRORPJGNRUVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-13-4-6-14(7-5-13)19(3)16(25)23(17(26)21-19)10-15(24)22-9-8-18(2,11-20)12-22;/h4-7H,8-12,20H2,1-3H3,(H,21,26);1H.
What are the key properties of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride?
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120808634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).