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

C17H11ClFN3 — CID 70283724

IUPAC4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(C(c2ccc(Cl)cc2)c2ncc[nH]2)cc1F
InChIInChI=1S/C17H11ClFN3/c18-14-5-3-11(4-6-14)16(17-21-7-8-22-17)12-1-2-13(10-20)15(19)9-12/h1-9,16H,(H,21,22)
InChIKeyIHDGKDXXZVJAOZ-UHFFFAOYSA-N
MW311.75 g/mol
LogP4.25
Rot. Bonds3

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

4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile (PubChem CID 70283724) has the molecular formula C17H11ClFN3 and a molecular weight of 311.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile
PubChem CID70283724
Molecular FormulaC17H11ClFN3
Molecular Weight311.75 g/mol
Exact Mass311.06
IUPAC Name4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(C(c2ccc(Cl)cc2)c2ncc[nH]2)cc1F
InChIInChI=1S/C17H11ClFN3/c18-14-5-3-11(4-6-14)16(17-21-7-8-22-17)12-1-2-13(10-20)15(19)9-12/h1-9,16H,(H,21,22)
InChIKeyIHDGKDXXZVJAOZ-UHFFFAOYSA-N
XLogP4.25
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile?
The IUPAC name of 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile (CID 70283724) is 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile is N#Cc1ccc(C(c2ccc(Cl)cc2)c2ncc[nH]2)cc1F.
What is the InChIKey of 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile?
The InChIKey is IHDGKDXXZVJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3/c18-14-5-3-11(4-6-14)16(17-21-7-8-22-17)12-1-2-13(10-20)15(19)9-12/h1-9,16H,(H,21,22).
What are the key properties of 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile?
4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile has a molecular weight of 311.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(1H-imidazol-2-yl)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 70283724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).