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

C13H14FN3O — CID 113247173

IUPAC2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C13H14FN3O/c1-9-2-3-11(14)10(8-9)13(18)17-5-4-12-15-6-7-16-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyBJUSCBNWLFYPFQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.83
Rot. Bonds4

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

2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide (PubChem CID 113247173) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
PubChem CID113247173
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C13H14FN3O/c1-9-2-3-11(14)10(8-9)13(18)17-5-4-12-15-6-7-16-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyBJUSCBNWLFYPFQ-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-2-nitrobenzamide
CID 115668378
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115668718
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide (CID 113247173) is 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCCc2ncc[nH]2)c1.
What is the InChIKey of 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
The InChIKey is BJUSCBNWLFYPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-2-3-11(14)10(8-9)13(18)17-5-4-12-15-6-7-16-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide?
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide has a molecular weight of 247.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 113247173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).