2-(2-ethylimidazol-1-yl)-5-fluorobenzamide

C12H12FN3O — CID 63810233

IUPAC2-(2-ethylimidazol-1-yl)-5-fluorobenzamide
SMILESCCc1nccn1-c1ccc(F)cc1C(N)=O
InChIInChI=1S/C12H12FN3O/c1-2-11-15-5-6-16(11)10-4-3-8(13)7-9(10)12(14)17/h3-7H,2H2,1H3,(H2,14,17)
InChIKeyUTKLGQANTIJFGN-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide

2-(2-ethylimidazol-1-yl)-5-fluorobenzamide (PubChem CID 63810233) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-5-fluorobenzamide
PubChem CID63810233
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(2-ethylimidazol-1-yl)-5-fluorobenzamide
SMILESCCc1nccn1-c1ccc(F)cc1C(N)=O
InChIInChI=1S/C12H12FN3O/c1-2-11-15-5-6-16(11)10-4-3-8(13)7-9(10)12(14)17/h3-7H,2H2,1H3,(H2,14,17)
InChIKeyUTKLGQANTIJFGN-UHFFFAOYSA-N
XLogP1.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 63812006
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
3-amino-4-(2-ethylimidazol-1-yl)benzoic acid
CID 61405550
2-amino-5-(2-ethylimidazol-1-yl)benzoic acid
CID 54979963
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
3-bromo-4-(2-ethylimidazol-1-yl)benzoic acid
CID 82800302
ethyl 3-amino-4-(2-ethylimidazol-1-yl)benzoate
CID 61405600
2-(3-amino-1,2,4-triazol-1-yl)-5-fluorobenzamide
CID 63673140
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
1-[4-(chloromethyl)-2-fluorophenyl]-2-ethylimidazole
CID 61405637

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide (CID 63810233) is 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide is CCc1nccn1-c1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide?
The InChIKey is UTKLGQANTIJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-11-15-5-6-16(11)10-4-3-8(13)7-9(10)12(14)17/h3-7H,2H2,1H3,(H2,14,17).
What are the key properties of 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide?
2-(2-ethylimidazol-1-yl)-5-fluorobenzamide has a molecular weight of 233.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-5-fluorobenzamide is sourced from PubChem (CID 63810233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).