(4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid

C25H28N2O5 — CID 18595935

IUPAC(4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)OC2CCCCC2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H28N2O5/c28-23(29)21-22(24(30)32-20-14-8-3-9-15-20)27(17-19-12-6-2-7-13-19)25(31)26(21)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2,(H,28,29)/t21-,22+/m0/s1
InChIKeyCBZIUCQMNDNHRQ-FCHUYYIVSA-N
MW436.51 g/mol
LogP3.82
Rot. Bonds7

About (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid

(4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 18595935) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID18595935
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)OC2CCCCC2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H28N2O5/c28-23(29)21-22(24(30)32-20-14-8-3-9-15-20)27(17-19-12-6-2-7-13-19)25(31)26(21)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2,(H,28,29)/t21-,22+/m0/s1
InChIKeyCBZIUCQMNDNHRQ-FCHUYYIVSA-N
XLogP3.82
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid (CID 18595935) is (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid is O=C(O)[C@@H]1[C@H](C(=O)OC2CCCCC2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is CBZIUCQMNDNHRQ-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H28N2O5/c28-23(29)21-22(24(30)32-20-14-8-3-9-15-20)27(17-19-12-6-2-7-13-19)25(31)26(21)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2,(H,28,29)/t21-,22+/m0/s1.
What are the key properties of (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid?
(4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 436.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,3-dibenzyl-5-cyclohexyloxycarbonyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 18595935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).