N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H19N3O3 — CID 66179483

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-7(2)4-11(3,17)6-13-9(15)8-5-12-10(16)14-8/h5,7,17H,4,6H2,1-3H3,(H,13,15)(H2,12,14,16)
InChIKeyLPBRWMLHVKHBSB-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.23
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 66179483) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID66179483
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-7(2)4-11(3,17)6-13-9(15)8-5-12-10(16)14-8/h5,7,17H,4,6H2,1-3H3,(H,13,15)(H2,12,14,16)
InChIKeyLPBRWMLHVKHBSB-UHFFFAOYSA-N
XLogP0.23
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-4-carboxamide
CID 66179128
3-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 81063015
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66172270
3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66178693
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 79383796
N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115770821
5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 81316339
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 66179483) is N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(C)CC(C)(O)CNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is LPBRWMLHVKHBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)4-11(3,17)6-13-9(15)8-5-12-10(16)14-8/h5,7,17H,4,6H2,1-3H3,(H,13,15)(H2,12,14,16).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 66179483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).