N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide

C14H15F2N3O2 — CID 107483116

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide
SMILESO=C(c1cncn1-c1ccccc1)N(CCO)CC(F)F
InChIInChI=1S/C14H15F2N3O2/c15-13(16)9-18(6-7-20)14(21)12-8-17-10-19(12)11-4-2-1-3-5-11/h1-5,8,10,13,20H,6-7,9H2
InChIKeyLRJHJIWHTSSGOP-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide (PubChem CID 107483116) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide
PubChem CID107483116
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide
SMILESO=C(c1cncn1-c1ccccc1)N(CCO)CC(F)F
InChIInChI=1S/C14H15F2N3O2/c15-13(16)9-18(6-7-20)14(21)12-8-17-10-19(12)11-4-2-1-3-5-11/h1-5,8,10,13,20H,6-7,9H2
InChIKeyLRJHJIWHTSSGOP-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide
CID 43573803
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 107482740
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107483137
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide
CID 107482872
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 107483136

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide (CID 107483116) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide is O=C(c1cncn1-c1ccccc1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide?
The InChIKey is LRJHJIWHTSSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-13(16)9-18(6-7-20)14(21)12-8-17-10-19(12)11-4-2-1-3-5-11/h1-5,8,10,13,20H,6-7,9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 107483116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).