N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C19H21N5O3 — CID 86989860

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C19H21N5O3/c25-17(12-23-18(26)10-20-19(23)27)22-15-7-4-8-16-14(15)9-21-24(16)11-13-5-2-1-3-6-13/h1-3,5-6,9,15H,4,7-8,10-12H2,(H,20,27)(H,22,25)
InChIKeyZNUYONVQHFSWIB-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.98
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 86989860) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID86989860
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C19H21N5O3/c25-17(12-23-18(26)10-20-19(23)27)22-15-7-4-8-16-14(15)9-21-24(16)11-13-5-2-1-3-6-13/h1-3,5-6,9,15H,4,7-8,10-12H2,(H,20,27)(H,22,25)
InChIKeyZNUYONVQHFSWIB-UHFFFAOYSA-N
XLogP0.98
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.98
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-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 97138494
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55622441
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 110236779
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 86989860) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)CNC1=O)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is ZNUYONVQHFSWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-17(12-23-18(26)10-20-19(23)27)22-15-7-4-8-16-14(15)9-21-24(16)11-13-5-2-1-3-6-13/h1-3,5-6,9,15H,4,7-8,10-12H2,(H,20,27)(H,22,25).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 86989860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).