benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

C24H30N4O2 — CID 142375795

IUPACbenzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
SMILESCCCCC1N(C)C(=O)[C@H](Cc2ccccc2)N1C(=O)NC.N#Cc1ccccc1
InChIInChI=1S/C17H25N3O2.C7H5N/c1-4-5-11-15-19(3)16(21)14(20(15)17(22)18-2)12-13-9-7-6-8-10-13;8-6-7-4-2-1-3-5-7/h6-10,14-15H,4-5,11-12H2,1-3H3,(H,18,22);1-5H/t14-,15?;/m0./s1
InChIKeyLOZFGCMPSJXLGI-QDVCFFRGSA-N
MW406.53 g/mol
LogP3.79
Rot. Bonds5

About benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide (PubChem CID 142375795) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Namebenzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
PubChem CID142375795
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Namebenzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
SMILESCCCCC1N(C)C(=O)[C@H](Cc2ccccc2)N1C(=O)NC.N#Cc1ccccc1
InChIInChI=1S/C17H25N3O2.C7H5N/c1-4-5-11-15-19(3)16(21)14(20(15)17(22)18-2)12-13-9-7-6-8-10-13;8-6-7-4-2-1-3-5-7/h6-10,14-15H,4-5,11-12H2,1-3H3,(H,18,22);1-5H/t14-,15?;/m0./s1
InChIKeyLOZFGCMPSJXLGI-QDVCFFRGSA-N
XLogP3.79
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide
CID 142375760
(5S)-2-butyl-N,3,5-trimethyl-4-oxoimidazolidine-1-carboxamide
CID 135143677
5-benzyl-2-tert-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide
CID 135142992
(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 59072610
(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 59072619
benzonitrile;N-methylpropanamide
CID 174788943
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
(2S,5S)-5-benzyl-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carbonyl chloride
CID 138977927
2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide
CID 167966063
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
benzonitrile;butanoic acid
CID 67781984
N-butyl-2-[(3-cyanophenyl)methylsulfonyl]acetamide
CID 82177600

Frequently Asked Questions

What is the IUPAC name of benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide (CID 142375795) is benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide is CCCCC1N(C)C(=O)[C@H](Cc2ccccc2)N1C(=O)NC.N#Cc1ccccc1.
What is the InChIKey of benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
The InChIKey is LOZFGCMPSJXLGI-QDVCFFRGSA-N. The full InChI is InChI=1S/C17H25N3O2.C7H5N/c1-4-5-11-15-19(3)16(21)14(20(15)17(22)18-2)12-13-9-7-6-8-10-13;8-6-7-4-2-1-3-5-7/h6-10,14-15H,4-5,11-12H2,1-3H3,(H,18,22);1-5H/t14-,15?;/m0./s1.
What are the key properties of benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide?
benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;(5S)-5-benzyl-2-butyl-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 142375795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).