N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C10H17N3O3 — CID 103919183

IUPACN-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCCCCCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c14-6-4-2-1-3-5-11-9(15)8-7-12-10(16)13-8/h7,14H,1-6H2,(H,11,15)(H2,12,13,16)
InChIKeyFGLICUCLORSZHE-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.01
Rot. Bonds7

About N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 103919183) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID103919183
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCCCCCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c14-6-4-2-1-3-5-11-9(15)8-7-12-10(16)13-8/h7,14H,1-6H2,(H,11,15)(H2,12,13,16)
InChIKeyFGLICUCLORSZHE-UHFFFAOYSA-N
XLogP-0.01
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.01
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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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 103919183) is N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCCCCCCO)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is FGLICUCLORSZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-6-4-2-1-3-5-11-9(15)8-7-12-10(16)13-8/h7,14H,1-6H2,(H,11,15)(H2,12,13,16).
What are the key properties of N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 103919183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).