4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine

C17H13ClF3N3O — CID 90440554

IUPAC4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine
SMILESFC(F)(F)COc1ccccc1Cn1cnc(-c2cc(Cl)ccn2)c1
InChIInChI=1S/C17H13ClF3N3O/c18-13-5-6-22-14(7-13)15-9-24(11-23-15)8-12-3-1-2-4-16(12)25-10-17(19,20)21/h1-7,9,11H,8,10H2
InChIKeyNDAVUWFAPJHGSW-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.59
Rot. Bonds5

About 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine

4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine (PubChem CID 90440554) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine
PubChem CID90440554
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine
SMILESFC(F)(F)COc1ccccc1Cn1cnc(-c2cc(Cl)ccn2)c1
InChIInChI=1S/C17H13ClF3N3O/c18-13-5-6-22-14(7-13)15-9-24(11-23-15)8-12-3-1-2-4-16(12)25-10-17(19,20)21/h1-7,9,11H,8,10H2
InChIKeyNDAVUWFAPJHGSW-UHFFFAOYSA-N
XLogP4.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
The IUPAC name of 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine (CID 90440554) is 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
The canonical SMILES for 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine is FC(F)(F)COc1ccccc1Cn1cnc(-c2cc(Cl)ccn2)c1.
What is the InChIKey of 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
The InChIKey is NDAVUWFAPJHGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c18-13-5-6-22-14(7-13)15-9-24(11-23-15)8-12-3-1-2-4-16(12)25-10-17(19,20)21/h1-7,9,11H,8,10H2.
What are the key properties of 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine has a molecular weight of 367.76 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 90440554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).