2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine

C20H14F3N3O — CID 44418336

IUPAC2-phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESC1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)OC(F)(F)F
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)27-16-8-6-14(7-9-16)12-26-11-10-17-18(13-26)25-19(24-17)15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKeyYVZZMJPAQODVFB-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.40
Rot. Bonds4

About 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine

2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 44418336) has the molecular formula C20H14F3N3O and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID44418336
Molecular FormulaC20H14F3N3O
Molecular Weight369.30 g/mol
Exact Mass369.11
IUPAC Name2-phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESC1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)OC(F)(F)F
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)27-16-8-6-14(7-9-16)12-26-11-10-17-18(13-26)25-19(24-17)15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKeyYVZZMJPAQODVFB-UHFFFAOYSA-N
XLogP4.40
TPSA39.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity476

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
Metodesnitazene
CID 26412
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782

Frequently Asked Questions

What is the IUPAC name of 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine (CID 44418336) is 2-phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine is C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)OC(F)(F)F.
What is the InChIKey of 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is YVZZMJPAQODVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c21-20(22,23)27-16-8-6-14(7-9-16)12-26-11-10-17-18(13-26)25-19(24-17)15-4-2-1-3-5-15/h1-11,13H,12H2.
What are the key properties of 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine?
2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 369.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 44418336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).