5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

C24H28N4O2 — CID 135142992

IUPAC5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
SMILESCN(C(=O)N1C(Cc2ccccc2)C(=O)N(C)C1C(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)22-27(5)21(29)20(15-17-9-7-6-8-10-17)28(22)23(30)26(4)19-13-11-18(16-25)12-14-19/h6-14,20,22H,15H2,1-5H3
InChIKeyCFMDDTPXLSTWCU-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.87
Rot. Bonds3

About 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide (PubChem CID 135142992) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
PubChem CID135142992
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
SMILESCN(C(=O)N1C(Cc2ccccc2)C(=O)N(C)C1C(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)22-27(5)21(29)20(15-17-9-7-6-8-10-17)28(22)23(30)26(4)19-13-11-18(16-25)12-14-19/h6-14,20,22H,15H2,1-5H3
InChIKeyCFMDDTPXLSTWCU-UHFFFAOYSA-N
XLogP3.87
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
CID 142375795
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
CID 135142912
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
2-[2-[(4-cyanophenyl)-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79322484
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
2-[(4R)-7-[(4-cyanophenyl)-methylcarbamoyl]-3-oxo-2-(2-phenylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid
CID 70094305
2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
CID 62819086
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide (CID 135142992) is 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide is CN(C(=O)N1C(Cc2ccccc2)C(=O)N(C)C1C(C)(C)C)c1ccc(C#N)cc1.
What is the InChIKey of 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The InChIKey is CFMDDTPXLSTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-24(2,3)22-27(5)21(29)20(15-17-9-7-6-8-10-17)28(22)23(30)26(4)19-13-11-18(16-25)12-14-19/h6-14,20,22H,15H2,1-5H3.
What are the key properties of 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 135142992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).