N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C18H21N5O3 — CID 78829285

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H21N5O3/c1-3-12(2)23-15(8-9-20-23)21-17(25)14-6-4-13(5-7-14)11-22-16(24)10-19-18(22)26/h4-9,12H,3,10-11H2,1-2H3,(H,19,26)(H,21,25)
InChIKeyBYIOVWMSYCRIMU-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.16
Rot. Bonds6

About N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 78829285) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID78829285
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H21N5O3/c1-3-12(2)23-15(8-9-20-23)21-17(25)14-6-4-13(5-7-14)11-22-16(24)10-19-18(22)26/h4-9,12H,3,10-11H2,1-2H3,(H,19,26)(H,21,25)
InChIKeyBYIOVWMSYCRIMU-UHFFFAOYSA-N
XLogP2.16
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134041028
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17430256
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide;hydrochloride
CID 119606017
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 78829285) is N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CCC(C)n1nccc1NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is BYIOVWMSYCRIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-12(2)23-15(8-9-20-23)21-17(25)14-6-4-13(5-7-14)11-22-16(24)10-19-18(22)26/h4-9,12H,3,10-11H2,1-2H3,(H,19,26)(H,21,25).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 355.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 78829285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).