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

C7H9F2N3O3 — CID 103769630

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

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

N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 103769630) has the molecular formula C7H9F2N3O3 and a molecular weight of 221.16 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID103769630
Molecular FormulaC7H9F2N3O3
Molecular Weight221.16 g/mol
Exact Mass221.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O3/c8-5(9)4(13)2-10-6(14)3-1-11-7(15)12-3/h1,4-5,13H,2H2,(H,10,14)(H2,11,12,15)
InChIKeyGKHJIWWVVUCIHQ-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

5-[(2-hydroxypropyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 16474434
2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726405
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-dihydroimidazole-4-carboxamide
CID 103755765
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 103770241
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-dihydroimidazole-4-carboxamide
CID 103915360
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104858206
2,4-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-6-carboxamide
CID 105648548
N-(3,3-difluoro-2-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 105649048
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 107482987
5-[[(2S)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373410
5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373413
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43392539

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 103769630) is N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCC(O)C(F)F)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is GKHJIWWVVUCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O3/c8-5(9)4(13)2-10-6(14)3-1-11-7(15)12-3/h1,4-5,13H,2H2,(H,10,14)(H2,11,12,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 103769630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).