(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide

C33H32N4O3 — CID 98456274

IUPAC(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C33H32N4O3/c38-31(34-21-25-13-5-1-6-14-25)29-30(32(39)35-22-26-15-7-2-8-16-26)37(24-28-19-11-4-12-20-28)33(40)36(29)23-27-17-9-3-10-18-27/h1-20,29-30H,21-24H2,(H,34,38)(H,35,39)/t29-,30-/m0/s1
InChIKeyDVZHYKZTGHFDAZ-KYJUHHDHSA-N
MW532.64 g/mol
LogP4.49
Rot. Bonds10

About (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide

(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide (PubChem CID 98456274) has the molecular formula C33H32N4O3 and a molecular weight of 532.64 g/mol. Its IUPAC name is (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide.

Molecular Properties

Compound Name(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide
PubChem CID98456274
Molecular FormulaC33H32N4O3
Molecular Weight532.64 g/mol
Exact Mass532.25
IUPAC Name(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C33H32N4O3/c38-31(34-21-25-13-5-1-6-14-25)29-30(32(39)35-22-26-15-7-2-8-16-26)37(24-28-19-11-4-12-20-28)33(40)36(29)23-27-17-9-3-10-18-27/h1-20,29-30H,21-24H2,(H,34,38)(H,35,39)/t29-,30-/m0/s1
InChIKeyDVZHYKZTGHFDAZ-KYJUHHDHSA-N
XLogP4.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 20778181
1,3-dibenzyl-5-(1,3-dibenzyl-5-carboxy-2-oxoimidazolidine-4-carbonyl)oxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
CID 87775753
(2R,3S)-4-benzyl-2-methyl-5-oxo-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 154856977
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202179
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
(2R,5S)-N,3-dibenzyl-4-oxo-3,10-diazatricyclo[5.2.1.01,5]decane-2-carboxamide
CID 177279997
N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide
CID 4913572
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide?
The IUPAC name of (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide (CID 98456274) is (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide.
What is the SMILES notation for (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide?
The canonical SMILES for (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide is O=C(NCc1ccccc1)[C@@H]1[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide?
The InChIKey is DVZHYKZTGHFDAZ-KYJUHHDHSA-N. The full InChI is InChI=1S/C33H32N4O3/c38-31(34-21-25-13-5-1-6-14-25)29-30(32(39)35-22-26-15-7-2-8-16-26)37(24-28-19-11-4-12-20-28)33(40)36(29)23-27-17-9-3-10-18-27/h1-20,29-30H,21-24H2,(H,34,38)(H,35,39)/t29-,30-/m0/s1.
What are the key properties of (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide?
(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide has a molecular weight of 532.64 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide is sourced from PubChem (CID 98456274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).