2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide

C23H26N4O2 — CID 135142912

IUPAC2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
SMILESCNC(=O)N1C(C(C)(C)C)N(C)C(=O)C1(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C23H26N4O2/c1-22(2,3)19-26(5)20(28)23(27(19)21(29)25-4,17-9-7-6-8-10-17)18-13-11-16(15-24)12-14-18/h6-14,19H,1-5H3,(H,25,29)
InChIKeyZCGMVXQSVJOQIP-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.29
Rot. Bonds2

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

2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide (PubChem CID 135142912) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
PubChem CID135142912
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
SMILESCNC(=O)N1C(C(C)(C)C)N(C)C(=O)C1(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C23H26N4O2/c1-22(2,3)19-26(5)20(28)23(27(19)21(29)25-4,17-9-7-6-8-10-17)18-13-11-16(15-24)12-14-18/h6-14,19H,1-5H3,(H,25,29)
InChIKeyZCGMVXQSVJOQIP-UHFFFAOYSA-N
XLogP3.29
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide (CID 135142912) is 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide is CNC(=O)N1C(C(C)(C)C)N(C)C(=O)C1(c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
The InChIKey is ZCGMVXQSVJOQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-22(2,3)19-26(5)20(28)23(27(19)21(29)25-4,17-9-7-6-8-10-17)18-13-11-16(15-24)12-14-18/h6-14,19H,1-5H3,(H,25,29).
What are the key properties of 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide?
2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 135142912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).