3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

C22H28ClN3O3 — CID 3043725

IUPAC3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCC(C)(C)NCC(O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-21(2,3)23-14-18(26)15-25-19(27)22(24-20(25)28,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18,23,26H,14-15H2,1-3H3,(H,24,28);1H
InChIKeyQRKFTALEUCFDHF-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.65
Rot. Bonds6

About 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (PubChem CID 3043725) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
PubChem CID3043725
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCC(C)(C)NCC(O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-21(2,3)23-14-18(26)15-25-19(27)22(24-20(25)28,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18,23,26H,14-15H2,1-3H3,(H,24,28);1H
InChIKeyQRKFTALEUCFDHF-UHFFFAOYSA-N
XLogP2.65
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (CID 3043725) is 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is CC(C)(C)NCC(O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.Cl.
What is the InChIKey of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is QRKFTALEUCFDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-21(2,3)23-14-18(26)15-25-19(27)22(24-20(25)28,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18,23,26H,14-15H2,1-3H3,(H,24,28);1H.
What are the key properties of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(tert-butylamino)-2-hydroxypropyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3043725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).