4-fluoro-3-(1H-imidazol-2-yl)benzonitrile

C10H6FN3 — CID 55267742

IUPAC4-fluoro-3-(1H-imidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(F)c(-c2ncc[nH]2)c1
InChIInChI=1S/C10H6FN3/c11-9-2-1-7(6-12)5-8(9)10-13-3-4-14-10/h1-5H,(H,13,14)
InChIKeyVWJIZJLUYPPRGB-UHFFFAOYSA-N
MW187.18 g/mol
LogP2.09
Rot. Bonds1

About 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile

4-fluoro-3-(1H-imidazol-2-yl)benzonitrile (PubChem CID 55267742) has the molecular formula C10H6FN3 and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(1H-imidazol-2-yl)benzonitrile
PubChem CID55267742
Molecular FormulaC10H6FN3
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name4-fluoro-3-(1H-imidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(F)c(-c2ncc[nH]2)c1
InChIInChI=1S/C10H6FN3/c11-9-2-1-7(6-12)5-8(9)10-13-3-4-14-10/h1-5H,(H,13,14)
InChIKeyVWJIZJLUYPPRGB-UHFFFAOYSA-N
XLogP2.09
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile?
The IUPAC name of 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile (CID 55267742) is 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile is N#Cc1ccc(F)c(-c2ncc[nH]2)c1.
What is the InChIKey of 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile?
The InChIKey is VWJIZJLUYPPRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3/c11-9-2-1-7(6-12)5-8(9)10-13-3-4-14-10/h1-5H,(H,13,14).
What are the key properties of 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile?
4-fluoro-3-(1H-imidazol-2-yl)benzonitrile has a molecular weight of 187.18 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1H-imidazol-2-yl)benzonitrile is sourced from PubChem (CID 55267742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).