3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C27H24N4O2S — CID 31475425

IUPAC3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C27H24N4O2S/c32-25-27(19-10-3-1-4-11-19,20-12-5-2-6-13-20)29-26(33)31(25)18-30-17-9-15-22(30)24-28-21-14-7-8-16-23(21)34-24/h1-8,10-14,16,22H,9,15,17-18H2,(H,29,33)/t22-/m1/s1
InChIKeyYBOVGRVXHQZGPZ-JOCHJYFZSA-N
MW468.58 g/mol
LogP4.89
Rot. Bonds5

About 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 31475425) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID31475425
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC Name3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1
InChIInChI=1S/C27H24N4O2S/c32-25-27(19-10-3-1-4-11-19,20-12-5-2-6-13-20)29-26(33)31(25)18-30-17-9-15-22(30)24-28-21-14-7-8-16-23(21)34-24/h1-8,10-14,16,22H,9,15,17-18H2,(H,29,33)/t22-/m1/s1
InChIKeyYBOVGRVXHQZGPZ-JOCHJYFZSA-N
XLogP4.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31475426
3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31388680
3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17479641
3'-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 24563642
(5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 124838286
5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 35947653
1-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 9244285
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-benzylacetamide
CID 9033359
1-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-propylimidazolidine-2,4,5-trione
CID 18093302
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135767703
3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 17481393
(5S)-3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 51887059

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 31475425) is 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1.
What is the InChIKey of 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is YBOVGRVXHQZGPZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H24N4O2S/c32-25-27(19-10-3-1-4-11-19,20-12-5-2-6-13-20)29-26(33)31(25)18-30-17-9-15-22(30)24-28-21-14-7-8-16-23(21)34-24/h1-8,10-14,16,22H,9,15,17-18H2,(H,29,33)/t22-/m1/s1.
What are the key properties of 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 468.58 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 31475425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).