5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide

C23H29N3O2 — CID 135142910

IUPAC5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
SMILESCNC(=O)N1C(C(C)(C)C)N(C)C(=O)C1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-22(2,3)19-25(5)20(27)23(26(19)21(28)24-4,18-14-10-7-11-15-18)16-17-12-8-6-9-13-17/h6-15,19H,16H2,1-5H3,(H,24,28)
InChIKeyPMXSRXAPAGVXSI-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.61
Rot. Bonds3

About 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide

5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide (PubChem CID 135142910) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
PubChem CID135142910
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
SMILESCNC(=O)N1C(C(C)(C)C)N(C)C(=O)C1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-22(2,3)19-25(5)20(27)23(26(19)21(28)24-4,18-14-10-7-11-15-18)16-17-12-8-6-9-13-17/h6-15,19H,16H2,1-5H3,(H,24,28)
InChIKeyPMXSRXAPAGVXSI-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenytoin
CID 1775
Ethotoin
CID 3292
Mephenytoin
CID 4060
Phenytoin Sodium
CID 657302
Fosphenytoin
CID 56339
Nirvanol
CID 91480
Fosphenytoin Sodium
CID 56338
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
The IUPAC name of 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide (CID 135142910) is 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
The canonical SMILES for 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide is CNC(=O)N1C(C(C)(C)C)N(C)C(=O)C1(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
The InChIKey is PMXSRXAPAGVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-22(2,3)19-25(5)20(27)23(26(19)21(28)24-4,18-14-10-7-11-15-18)16-17-12-8-6-9-13-17/h6-15,19H,16H2,1-5H3,(H,24,28).
What are the key properties of 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 135142910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).