(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one

C26H26N2O — CID 101379088

IUPAC(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one
SMILESO=C1N(Cc2ccccc2)[C@H]2CCC[C@@]2(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C26H26N2O/c29-25-27(19-21-11-4-1-5-12-21)24-17-10-18-26(24,23-15-8-3-9-16-23)28(25)20-22-13-6-2-7-14-22/h1-9,11-16,24H,10,17-20H2/t24-,26-/m0/s1
InChIKeyIYULVBQUJSVLGM-AHWVRZQESA-N
MW382.51 g/mol
LogP5.57
Rot. Bonds5

About (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one

(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one (PubChem CID 101379088) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one.

Molecular Properties

Compound Name(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one
PubChem CID101379088
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one
SMILESO=C1N(Cc2ccccc2)[C@H]2CCC[C@@]2(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C26H26N2O/c29-25-27(19-21-11-4-1-5-12-21)24-17-10-18-26(24,23-15-8-3-9-16-23)28(25)20-22-13-6-2-7-14-22/h1-9,11-16,24H,10,17-20H2/t24-,26-/m0/s1
InChIKeyIYULVBQUJSVLGM-AHWVRZQESA-N
XLogP5.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1',3'-dibenzyl-5'-hydroxy-1-methylspiro[6,7-dihydro-5H-indole-4,4'-imidazolidine]-2'-one
CID 11654254
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(3aS,8bS)-4-benzyl-8b-butyl-1,2,3,3a-tetrahydrocyclopenta[b]indole
CID 134947118
4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
CID 82855845
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
2-benzyl-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine
CID 21330535
ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
CID 146158159
8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202988
1-benzyl-3,3-dimethyl-3a,4,5,6,7,7a-hexahydroindol-2-one
CID 71490768
(4aS,7aS)-1,3-dibenzyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-2-one
CID 102209940
1-benzyl-2,2-dimethyl-3H-quinolin-4-one
CID 139227185
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one?
The IUPAC name of (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one (CID 101379088) is (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one.
What is the SMILES notation for (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one?
The canonical SMILES for (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one is O=C1N(Cc2ccccc2)[C@H]2CCC[C@@]2(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one?
The InChIKey is IYULVBQUJSVLGM-AHWVRZQESA-N. The full InChI is InChI=1S/C26H26N2O/c29-25-27(19-21-11-4-1-5-12-21)24-17-10-18-26(24,23-15-8-3-9-16-23)28(25)20-22-13-6-2-7-14-22/h1-9,11-16,24H,10,17-20H2/t24-,26-/m0/s1.
What are the key properties of (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one?
(3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one has a molecular weight of 382.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1,3-dibenzyl-3a-phenyl-4,5,6,6a-tetrahydrocyclopenta[d]imidazol-2-one is sourced from PubChem (CID 101379088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).