(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C31H36N4O2 — CID 26338678

IUPAC(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cc(C)c(CN2CCC([C@]3(Cc4ccccc4)NC(=O)N(Cc4cccnc4)C3=O)CC2)cc1C
InChIInChI=1S/C31H36N4O2/c1-22-16-24(3)27(17-23(22)2)21-34-14-11-28(12-15-34)31(18-25-8-5-4-6-9-25)29(36)35(30(37)33-31)20-26-10-7-13-32-19-26/h4-10,13,16-17,19,28H,11-12,14-15,18,20-21H2,1-3H3,(H,33,37)/t31-/m0/s1
InChIKeyLCJDSLCKRUCDBL-HKBQPEDESA-N
MW496.66 g/mol
LogP4.95
Rot. Bonds7

About (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 26338678) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID26338678
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC Name(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1cc(C)c(CN2CCC([C@]3(Cc4ccccc4)NC(=O)N(Cc4cccnc4)C3=O)CC2)cc1C
InChIInChI=1S/C31H36N4O2/c1-22-16-24(3)27(17-23(22)2)21-34-14-11-28(12-15-34)31(18-25-8-5-4-6-9-25)29(36)35(30(37)33-31)20-26-10-7-13-32-19-26/h4-10,13,16-17,19,28H,11-12,14-15,18,20-21H2,1-3H3,(H,33,37)/t31-/m0/s1
InChIKeyLCJDSLCKRUCDBL-HKBQPEDESA-N
XLogP4.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione 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

(5S)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 42398915
(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 42398914
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione
CID 56710057
5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45181974
(5S)-3-but-2-ynyl-5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 42459377
(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 26280199
5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115946533
5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
CID 154887103
5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 45239134
(4aS,8aR)-6-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(pyridin-3-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133121357

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 26338678) is (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1cc(C)c(CN2CCC([C@]3(Cc4ccccc4)NC(=O)N(Cc4cccnc4)C3=O)CC2)cc1C.
What is the InChIKey of (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is LCJDSLCKRUCDBL-HKBQPEDESA-N. The full InChI is InChI=1S/C31H36N4O2/c1-22-16-24(3)27(17-23(22)2)21-34-14-11-28(12-15-34)31(18-25-8-5-4-6-9-25)29(36)35(30(37)33-31)20-26-10-7-13-32-19-26/h4-10,13,16-17,19,28H,11-12,14-15,18,20-21H2,1-3H3,(H,33,37)/t31-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 496.66 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 26338678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).