4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine

C20H21ClF3N3O — CID 10070229

IUPAC4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine
SMILESCCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21
InChIInChI=1S/C20H21ClF3N3O/c1-4-6-12(3)27-16-9-10-25-18(19(16)26-17(27)5-2)14-8-7-13(11-15(14)21)28-20(22,23)24/h7-12H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyHHZUBQOBTSGLCZ-GFCCVEGCSA-N
MW411.86 g/mol
LogP6.57
Rot. Bonds6

About 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine

4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine (PubChem CID 10070229) has the molecular formula C20H21ClF3N3O and a molecular weight of 411.86 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine
PubChem CID10070229
Molecular FormulaC20H21ClF3N3O
Molecular Weight411.86 g/mol
Exact Mass411.13
IUPAC Name4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine
SMILESCCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21
InChIInChI=1S/C20H21ClF3N3O/c1-4-6-12(3)27-16-9-10-25-18(19(16)26-17(27)5-2)14-8-7-13(11-15(14)21)28-20(22,23)24/h7-12H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyHHZUBQOBTSGLCZ-GFCCVEGCSA-N
XLogP6.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine (CID 10070229) is 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine is CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine?
The InChIKey is HHZUBQOBTSGLCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21ClF3N3O/c1-4-6-12(3)27-16-9-10-25-18(19(16)26-17(27)5-2)14-8-7-13(11-15(14)21)28-20(22,23)24/h7-12H,4-6H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine?
4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine has a molecular weight of 411.86 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-ethyl-1-[(2R)-pentan-2-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10070229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).