2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide

C18H16FN3O — CID 110711165

IUPAC2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-16-9-5-4-8-15(16)18(23)20-11-10-14-12-21-17(22-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
InChIKeyMTUAVVFXZCCCQH-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.19
Rot. Bonds5

About 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide

2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 110711165) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID110711165
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-16-9-5-4-8-15(16)18(23)20-11-10-14-12-21-17(22-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
InChIKeyMTUAVVFXZCCCQH-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
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2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
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2-fluoro-N-(4-phenylbutyl)benzamide
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2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide
CID 169215479
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
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N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide (CID 110711165) is 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide is O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is MTUAVVFXZCCCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-9-5-4-8-15(16)18(23)20-11-10-14-12-21-17(22-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)(H,21,22).
What are the key properties of 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide?
2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110711165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).