2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile

C17H10ClF3N4 — CID 90407518

IUPAC2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cn(Cc3cccc(C(F)(F)F)c3Cl)cn2)c1
InChIInChI=1S/C17H10ClF3N4/c18-16-12(2-1-3-13(16)17(19,20)21)8-25-9-15(24-10-25)14-6-11(7-22)4-5-23-14/h1-6,9-10H,8H2
InChIKeyPVHIZSWPGNFUDM-UHFFFAOYSA-N
MW362.74 g/mol
LogP4.54
Rot. Bonds3

About 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile

2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile (PubChem CID 90407518) has the molecular formula C17H10ClF3N4 and a molecular weight of 362.74 g/mol. Its IUPAC name is 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
PubChem CID90407518
Molecular FormulaC17H10ClF3N4
Molecular Weight362.74 g/mol
Exact Mass362.05
IUPAC Name2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cn(Cc3cccc(C(F)(F)F)c3Cl)cn2)c1
InChIInChI=1S/C17H10ClF3N4/c18-16-12(2-1-3-13(16)17(19,20)21)8-25-9-15(24-10-25)14-6-11(7-22)4-5-23-14/h1-6,9-10H,8H2
InChIKeyPVHIZSWPGNFUDM-UHFFFAOYSA-N
XLogP4.54
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile (CID 90407518) is 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cn(Cc3cccc(C(F)(F)F)c3Cl)cn2)c1.
What is the InChIKey of 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile?
The InChIKey is PVHIZSWPGNFUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4/c18-16-12(2-1-3-13(16)17(19,20)21)8-25-9-15(24-10-25)14-6-11(7-22)4-5-23-14/h1-6,9-10H,8H2.
What are the key properties of 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile?
2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile has a molecular weight of 362.74 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 90407518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).