N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C8H11F2N3O3 — CID 107482987

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]1)N(CCO)CC(F)F
InChIInChI=1S/C8H11F2N3O3/c9-6(10)4-13(1-2-14)7(15)5-3-11-8(16)12-5/h3,6,14H,1-2,4H2,(H2,11,12,16)
InChIKeyORTCWEPTEYEYBH-UHFFFAOYSA-N
MW235.19 g/mol
LogP-0.60
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 107482987) has the molecular formula C8H11F2N3O3 and a molecular weight of 235.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID107482987
Molecular FormulaC8H11F2N3O3
Molecular Weight235.19 g/mol
Exact Mass235.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]1)N(CCO)CC(F)F
InChIInChI=1S/C8H11F2N3O3/c9-6(10)4-13(1-2-14)7(15)5-3-11-8(16)12-5/h3,6,14H,1-2,4H2,(H2,11,12,16)
InChIKeyORTCWEPTEYEYBH-UHFFFAOYSA-N
XLogP-0.60
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
5-[(2-hydroxyethyl)(methyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 7373407
5-[(2-Fluoroethyl)(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 269002
1,3-Bis(2-fluoroethyl)-5-[2-fluoroethyl(2-hydroxyethyl)amino]pyrimidine-2,4-dione
CID 417388
2-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258623
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-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104858206
5-[Ethyl(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 236128
5-[Bis(2-hydroxyethyl)amino]-3-methylpyrimidine-2,4(1h,3h)-dione
CID 240819
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43392539

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 107482987) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(c1c[nH]c(=O)[nH]1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is ORTCWEPTEYEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O3/c9-6(10)4-13(1-2-14)7(15)5-3-11-8(16)12-5/h3,6,14H,1-2,4H2,(H2,11,12,16).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 235.19 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 107482987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).