N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide

C9H15N3O3 — CID 91265304

IUPACN-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCCCCNC(=O)Cc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C9H15N3O3/c1-2-3-4-10-7(13)5-6-8(14)12-9(15)11-6/h14H,2-5H2,1H3,(H,10,13)(H2,11,12,15)
InChIKeyRMSGQGVZJDRKND-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.13
Rot. Bonds5

About N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide

N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide (PubChem CID 91265304) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
PubChem CID91265304
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCCCCNC(=O)Cc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C9H15N3O3/c1-2-3-4-10-7(13)5-6-8(14)12-9(15)11-6/h14H,2-5H2,1H3,(H,10,13)(H2,11,12,15)
InChIKeyRMSGQGVZJDRKND-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629712

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The IUPAC name of N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide (CID 91265304) is N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide is CCCCNC(=O)Cc1[nH]c(=O)[nH]c1O.
What is the InChIKey of N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The InChIKey is RMSGQGVZJDRKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-3-4-10-7(13)5-6-8(14)12-9(15)11-6/h14H,2-5H2,1H3,(H,10,13)(H2,11,12,15).
What are the key properties of N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide has a molecular weight of 213.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide is sourced from PubChem (CID 91265304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).