N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide

C18H20N6O4 — CID 175783320

IUPACN-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
SMILESO=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccccc3)n2)(C2CCOCC2)N1
InChIInChI=1S/C18H20N6O4/c25-15(14-10-20-24(23-14)13-4-2-1-3-5-13)19-11-18(12-6-8-28-9-7-12)16(26)21-17(27)22-18/h1-5,10,12H,6-9,11H2,(H,19,25)(H2,21,22,26,27)/t18-/m0/s1
InChIKeyAINYNRPFOAVLRC-SFHVURJKSA-N
MW384.40 g/mol
LogP0.00
Rot. Bonds5

About N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide

N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 175783320) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
PubChem CID175783320
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC NameN-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
SMILESO=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccccc3)n2)(C2CCOCC2)N1
InChIInChI=1S/C18H20N6O4/c25-15(14-10-20-24(23-14)13-4-2-1-3-5-13)19-11-18(12-6-8-28-9-7-12)16(26)21-17(27)22-18/h1-5,10,12H,6-9,11H2,(H,19,25)(H2,21,22,26,27)/t18-/m0/s1
InChIKeyAINYNRPFOAVLRC-SFHVURJKSA-N
XLogP0.00
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-(3,4-difluorophenyl)triazole-4-carboxamide
CID 166636596
2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide
CID 175783171
N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide
CID 103548715
1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
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N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide
CID 126851544
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 90610596
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide (CID 175783320) is N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide is O=C1NC(=O)[C@](CNC(=O)c2cnn(-c3ccccc3)n2)(C2CCOCC2)N1.
What is the InChIKey of N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is AINYNRPFOAVLRC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N6O4/c25-15(14-10-20-24(23-14)13-4-2-1-3-5-13)19-11-18(12-6-8-28-9-7-12)16(26)21-17(27)22-18/h1-5,10,12H,6-9,11H2,(H,19,25)(H2,21,22,26,27)/t18-/m0/s1.
What are the key properties of N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 175783320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).