N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C7H9F2N3O3 — CID 104858206

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O3/c8-7(9,3-13)2-11-5(14)4-1-10-6(15)12-4/h1,13H,2-3H2,(H,11,14)(H2,10,12,15)
InChIKeyVOBKTQRCYMEPHN-UHFFFAOYSA-N
MW221.16 g/mol
LogP-0.94
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 104858206) has the molecular formula C7H9F2N3O3 and a molecular weight of 221.16 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID104858206
Molecular FormulaC7H9F2N3O3
Molecular Weight221.16 g/mol
Exact Mass221.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O3/c8-7(9,3-13)2-11-5(14)4-1-10-6(15)12-4/h1,13H,2-3H2,(H,11,14)(H2,10,12,15)
InChIKeyVOBKTQRCYMEPHN-UHFFFAOYSA-N
XLogP-0.94
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide
CID 103755765
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 103769630
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-dihydroimidazole-4-carboxamide
CID 103915360
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 107482987
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 114383676
5-[(3-Hydroxypropyl)amino]-1,3-dihydropyrimidine-2,4-dione
CID 19589357
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43392539
N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43500338
N-(3-hydroxypropyl)-2-oxo-N-propan-2-yl-1,3-dihydroimidazole-4-carboxamide
CID 61039449
N-(3-hydroxybutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 64458939
N-(3-hydroxy-2-methylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65037040
N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81646994

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 104858206) is N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCC(F)(F)CO)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is VOBKTQRCYMEPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O3/c8-7(9,3-13)2-11-5(14)4-1-10-6(15)12-4/h1,13H,2-3H2,(H,11,14)(H2,10,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 221.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 104858206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).