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

C9H15N3O3 — CID 115770821

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(CO)C(C)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-5(4-13)6(2)11-8(14)7-3-10-9(15)12-7/h3,5-6,13H,4H2,1-2H3,(H,11,14)(H2,10,12,15)
InChIKeyFGRBKXCQJLDAHX-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.55
Rot. Bonds4

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

N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 115770821) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID115770821
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(CO)C(C)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-5(4-13)6(2)11-8(14)7-3-10-9(15)12-7/h3,5-6,13H,4H2,1-2H3,(H,11,14)(H2,10,12,15)
InChIKeyFGRBKXCQJLDAHX-UHFFFAOYSA-N
XLogP-0.55
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 115770821) is N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(CO)C(C)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is FGRBKXCQJLDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5(4-13)6(2)11-8(14)7-3-10-9(15)12-7/h3,5-6,13H,4H2,1-2H3,(H,11,14)(H2,10,12,15).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 115770821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).