3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide

C18H15F2N3O2 — CID 112522455

IUPAC3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H15F2N3O2/c19-14-7-4-8-15(20)13(14)9-21-17(24)16-10-22-18(25)23(16)11-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,21,24)(H,22,25)
InChIKeyHPPDJFJKEVCBRO-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.43
Rot. Bonds5

About 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide

3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 112522455) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
PubChem CID112522455
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H15F2N3O2/c19-14-7-4-8-15(20)13(14)9-21-17(24)16-10-22-18(25)23(16)11-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,21,24)(H,22,25)
InChIKeyHPPDJFJKEVCBRO-UHFFFAOYSA-N
XLogP2.43
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-N-[(2,6-difluorophenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231425
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
3-benzyl-2-oxo-N-(4-phenoxyphenyl)-1H-imidazole-4-carboxamide
CID 112523899
N-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026302
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
CID 88760860
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112528155
4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
CID 112526275
1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 42238224
3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
CID 112531172
3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112523286

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide (CID 112522455) is 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide is O=C(NCc1c(F)cccc1F)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is HPPDJFJKEVCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-14-7-4-8-15(20)13(14)9-21-17(24)16-10-22-18(25)23(16)11-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,21,24)(H,22,25).
What are the key properties of 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide?
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 112522455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).