2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile

C16H9ClFN3 — CID 52948488

IUPAC2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H9ClFN3/c17-12-6-4-10(5-7-12)14-9-20-16(21-14)15-11(8-19)2-1-3-13(15)18/h1-7,9H,(H,20,21)
InChIKeyRETYCCIPSGAAFV-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.41
Rot. Bonds2

About 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile

2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile (PubChem CID 52948488) has the molecular formula C16H9ClFN3 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile
PubChem CID52948488
Molecular FormulaC16H9ClFN3
Molecular Weight297.72 g/mol
Exact Mass297.05
IUPAC Name2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C16H9ClFN3/c17-12-6-4-10(5-7-12)14-9-20-16(21-14)15-11(8-19)2-1-3-13(15)18/h1-7,9H,(H,20,21)
InChIKeyRETYCCIPSGAAFV-UHFFFAOYSA-N
XLogP4.41
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile?
The IUPAC name of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile (CID 52948488) is 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile is N#Cc1cccc(F)c1-c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile?
The InChIKey is RETYCCIPSGAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3/c17-12-6-4-10(5-7-12)14-9-20-16(21-14)15-11(8-19)2-1-3-13(15)18/h1-7,9H,(H,20,21).
What are the key properties of 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile?
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile has a molecular weight of 297.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 52948488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).