1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one

C25H27N3O2 — CID 11654254

IUPAC1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one
SMILESCn1ccc2c1CCCC21C(O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H27N3O2/c1-26-16-14-21-22(26)13-8-15-25(21)23(29)27(17-19-9-4-2-5-10-19)24(30)28(25)18-20-11-6-3-7-12-20/h2-7,9-12,14,16,23,29H,8,13,15,17-18H2,1H3
InChIKeyFKIMORCKFFEDLA-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.01
Rot. Bonds4

About 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one

1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one (PubChem CID 11654254) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one
PubChem CID11654254
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one
SMILESCn1ccc2c1CCCC21C(O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H27N3O2/c1-26-16-14-21-22(26)13-8-15-25(21)23(29)27(17-19-9-4-2-5-10-19)24(30)28(25)18-20-11-6-3-7-12-20/h2-7,9-12,14,16,23,29H,8,13,15,17-18H2,1H3
InChIKeyFKIMORCKFFEDLA-UHFFFAOYSA-N
XLogP4.01
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one
CID 101379088
(3R,5'R)-2-benzyl-5'-hydroxy-1'-prop-2-ynylspiro[isoindole-3,4'-pyrrolidine]-1,2'-dione
CID 102111648
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione
CID 132572928
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
(4aS,9aR)-1-benzyl-9-methyl-4a-phenyl-4,9a-dihydro-3H-pyrido[2,3-b]indol-2-one
CID 134945963
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
ethyl (3aR,4R,5'R,6S,6aS)-1',3'-dibenzyl-5'-hydroxy-2,2-dimethyl-2'-oxospiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,4'-imidazolidine]-6-carboxylate
CID 11340590

Frequently Asked Questions

What is the IUPAC name of 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one?
The IUPAC name of 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one (CID 11654254) is 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one.
What is the SMILES notation for 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one?
The canonical SMILES for 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one is Cn1ccc2c1CCCC21C(O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one?
The InChIKey is FKIMORCKFFEDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-26-16-14-21-22(26)13-8-15-25(21)23(29)27(17-19-9-4-2-5-10-19)24(30)28(25)18-20-11-6-3-7-12-20/h2-7,9-12,14,16,23,29H,8,13,15,17-18H2,1H3.
What are the key properties of 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one?
1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one has a molecular weight of 401.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one is sourced from PubChem (CID 11654254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).