2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile

C18H13F3N4 — CID 90457056

IUPAC2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cnc(CCc3ccccc3C(F)(F)F)[nH]2)c1
InChIInChI=1S/C18H13F3N4/c19-18(20,21)14-4-2-1-3-13(14)5-6-17-24-11-16(25-17)15-9-12(10-22)7-8-23-15/h1-4,7-9,11H,5-6H2,(H,24,25)
InChIKeyUNRVCDLWIMWPPO-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.15
Rot. Bonds4

About 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile

2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile (PubChem CID 90457056) has the molecular formula C18H13F3N4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
PubChem CID90457056
Molecular FormulaC18H13F3N4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC Name2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cnc(CCc3ccccc3C(F)(F)F)[nH]2)c1
InChIInChI=1S/C18H13F3N4/c19-18(20,21)14-4-2-1-3-13(14)5-6-17-24-11-16(25-17)15-9-12(10-22)7-8-23-15/h1-4,7-9,11H,5-6H2,(H,24,25)
InChIKeyUNRVCDLWIMWPPO-UHFFFAOYSA-N
XLogP4.15
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile (CID 90457056) is 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cnc(CCc3ccccc3C(F)(F)F)[nH]2)c1.
What is the InChIKey of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
The InChIKey is UNRVCDLWIMWPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4/c19-18(20,21)14-4-2-1-3-13(14)5-6-17-24-11-16(25-17)15-9-12(10-22)7-8-23-15/h1-4,7-9,11H,5-6H2,(H,24,25).
What are the key properties of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile?
2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile has a molecular weight of 342.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 90457056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).