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

C9H15N3O3 — CID 66109446

IUPACN-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(CCO)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-6(2-3-13)4-10-8(14)7-5-11-9(15)12-7/h5-6,13H,2-4H2,1H3,(H,10,14)(H2,11,12,15)
InChIKeyIWFZECYIUCWIQY-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.55
Rot. Bonds5

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

N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 66109446) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID66109446
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(CCO)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-6(2-3-13)4-10-8(14)7-5-11-9(15)12-7/h5-6,13H,2-4H2,1H3,(H,10,14)(H2,11,12,15)
InChIKeyIWFZECYIUCWIQY-UHFFFAOYSA-N
XLogP-0.55
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 81063015
N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 66109460
N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65034365
N-(2-hydroxy-2,4-dimethylpentyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 66179483
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
5-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 82855211
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 106115873

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 66109446) is N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(CCO)CNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is IWFZECYIUCWIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(2-3-13)4-10-8(14)7-5-11-9(15)12-7/h5-6,13H,2-4H2,1H3,(H,10,14)(H2,11,12,15).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 66109446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).