N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C7H10F2N4O2 — CID 114383676

IUPACN-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H10F2N4O2/c8-7(9,2-10)3-12-5(14)4-1-11-6(15)13-4/h1H,2-3,10H2,(H,12,14)(H2,11,13,15)
InChIKeyLJYZIALJSCNOHC-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.97
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 114383676) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID114383676
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H10F2N4O2/c8-7(9,2-10)3-12-5(14)4-1-11-6(15)13-4/h1H,2-3,10H2,(H,12,14)(H2,11,13,15)
InChIKeyLJYZIALJSCNOHC-UHFFFAOYSA-N
XLogP-0.97
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 284250
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2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63800250
2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
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N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104858206
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114383339
N-(2,2-difluoroethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 133666613
N-(2-fluoroethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 133673298
3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide
CID 138034273
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide
CID 138036109
N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 23629745

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 114383676) is N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is NCC(F)(F)CNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is LJYZIALJSCNOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-7(9,2-10)3-12-5(14)4-1-11-6(15)13-4/h1H,2-3,10H2,(H,12,14)(H2,11,13,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 220.18 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 114383676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).