3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile

C16H8ClF3N4 — CID 71160830

IUPAC3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile
SMILESN#Cc1cccc(C2=NC(c3ncc(C(F)(F)F)cc3Cl)=NC2)c1
InChIInChI=1S/C16H8ClF3N4/c17-12-5-11(16(18,19)20)7-22-14(12)15-23-8-13(24-15)10-3-1-2-9(4-10)6-21/h1-5,7H,8H2
InChIKeyZPAWIISDCLYKIP-UHFFFAOYSA-N
MW348.72 g/mol
LogP3.87
Rot. Bonds2

About 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile

3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile (PubChem CID 71160830) has the molecular formula C16H8ClF3N4 and a molecular weight of 348.72 g/mol. Its IUPAC name is 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile
PubChem CID71160830
Molecular FormulaC16H8ClF3N4
Molecular Weight348.72 g/mol
Exact Mass348.04
IUPAC Name3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile
SMILESN#Cc1cccc(C2=NC(c3ncc(C(F)(F)F)cc3Cl)=NC2)c1
InChIInChI=1S/C16H8ClF3N4/c17-12-5-11(16(18,19)20)7-22-14(12)15-23-8-13(24-15)10-3-1-2-9(4-10)6-21/h1-5,7H,8H2
InChIKeyZPAWIISDCLYKIP-UHFFFAOYSA-N
XLogP3.87
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile?
The IUPAC name of 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile (CID 71160830) is 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile?
The canonical SMILES for 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile is N#Cc1cccc(C2=NC(c3ncc(C(F)(F)F)cc3Cl)=NC2)c1.
What is the InChIKey of 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile?
The InChIKey is ZPAWIISDCLYKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N4/c17-12-5-11(16(18,19)20)7-22-14(12)15-23-8-13(24-15)10-3-1-2-9(4-10)6-21/h1-5,7H,8H2.
What are the key properties of 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile?
3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile has a molecular weight of 348.72 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-imidazol-5-yl]benzonitrile is sourced from PubChem (CID 71160830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).