benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate

C22H26N2O3 — CID 563936

IUPACbenzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate
SMILESCC(C)(C)C1N(Cc2ccccc2)C(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)20-23(14-17-10-6-4-7-11-17)19(25)15-24(20)21(26)27-16-18-12-8-5-9-13-18/h4-13,20H,14-16H2,1-3H3
InChIKeyZJBQUVQVCDLNAZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.04
Rot. Bonds4

About benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate

benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate (PubChem CID 563936) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate
PubChem CID563936
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate
SMILESCC(C)(C)C1N(Cc2ccccc2)C(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)20-23(14-17-10-6-4-7-11-17)19(25)15-24(20)21(26)27-16-18-12-8-5-9-13-18/h4-13,20H,14-16H2,1-3H3
InChIKeyZJBQUVQVCDLNAZ-UHFFFAOYSA-N
XLogP4.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carbaldehyde
CID 563307
(2R)-2-tert-butyl-3-methyl-4-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 68861934
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
CID 101153820
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
benzyl 2-oxo-1,4-diazabicyclo[3.3.1]nonane-4-carboxylate
CID 130759567
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386
benzyl 3-(aminomethyl)-2-methylazetidine-1-carboxylate
CID 131028084
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628

Frequently Asked Questions

What is the IUPAC name of benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate?
The IUPAC name of benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate (CID 563936) is benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate?
The canonical SMILES for benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate is CC(C)(C)C1N(Cc2ccccc2)C(=O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate?
The InChIKey is ZJBQUVQVCDLNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)20-23(14-17-10-6-4-7-11-17)19(25)15-24(20)21(26)27-16-18-12-8-5-9-13-18/h4-13,20H,14-16H2,1-3H3.
What are the key properties of benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate?
benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-benzyl-2-tert-butyl-4-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 563936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).