2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile

C11H7ClFN3 — CID 116880048

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile
SMILESN#CCc1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C11H7ClFN3/c12-7-1-2-9(13)8(5-7)10-6-15-11(16-10)3-4-14/h1-2,5-6H,3H2,(H,15,16)
InChIKeySBVBGDIKZJCMOH-UHFFFAOYSA-N
MW235.65 g/mol
LogP2.94
Rot. Bonds2

About 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile

2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile (PubChem CID 116880048) has the molecular formula C11H7ClFN3 and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile
PubChem CID116880048
Molecular FormulaC11H7ClFN3
Molecular Weight235.65 g/mol
Exact Mass235.03
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile
SMILESN#CCc1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C11H7ClFN3/c12-7-1-2-9(13)8(5-7)10-6-15-11(16-10)3-4-14/h1-2,5-6H,3H2,(H,15,16)
InChIKeySBVBGDIKZJCMOH-UHFFFAOYSA-N
XLogP2.94
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile (CID 116880048) is 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile is N#CCc1ncc(-c2cc(Cl)ccc2F)[nH]1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile?
The InChIKey is SBVBGDIKZJCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3/c12-7-1-2-9(13)8(5-7)10-6-15-11(16-10)3-4-14/h1-2,5-6H,3H2,(H,15,16).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile?
2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile has a molecular weight of 235.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile is sourced from PubChem (CID 116880048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).