3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride

C19H25ClN4O3 — CID 120806842

IUPAC3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
SMILESCC1(CN)CCN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-18(11-20)8-9-22(12-18)15(24)10-23-16(25)19(21-17(23)26)7-6-13-4-2-3-5-14(13)19;/h2-5H,6-12,20H2,1H3,(H,21,26);1H
InChIKeyYIPCPZNKOAEAIS-UHFFFAOYSA-N
MW392.89 g/mol
LogP1.00
Rot. Bonds3

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

3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride (PubChem CID 120806842) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride.

Molecular Properties

Compound Name3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
PubChem CID120806842
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
SMILESCC1(CN)CCN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-18(11-20)8-9-22(12-18)15(24)10-23-16(25)19(21-17(23)26)7-6-13-4-2-3-5-14(13)19;/h2-5H,6-12,20H2,1H3,(H,21,26);1H
InChIKeyYIPCPZNKOAEAIS-UHFFFAOYSA-N
XLogP1.00
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.00
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-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
CID 119423548
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(3S)-3'-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 26624665
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione;hydrochloride
CID 120808634
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
3'-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 119595087
2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55363794
3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18775236

Frequently Asked Questions

What is the IUPAC name of 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride?
The IUPAC name of 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride (CID 120806842) is 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride.
What is the SMILES notation for 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride?
The canonical SMILES for 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride is CC1(CN)CCN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1.Cl.
What is the InChIKey of 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride?
The InChIKey is YIPCPZNKOAEAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c1-18(11-20)8-9-22(12-18)15(24)10-23-16(25)19(21-17(23)26)7-6-13-4-2-3-5-14(13)19;/h2-5H,6-12,20H2,1H3,(H,21,26);1H.
What are the key properties of 3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride?
3'-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 1.00, 3 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]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride is sourced from PubChem (CID 120806842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).