1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H12F3N3O — CID 64853794

IUPAC1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)Oc1ccc(-n2cnc3c2CCNC3)cc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)20-10-3-1-9(2-4-10)19-8-18-11-7-17-6-5-12(11)19/h1-4,8,17H,5-7H2
InChIKeyKKELCGDIDFWSLB-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.42
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64853794) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64853794
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)Oc1ccc(-n2cnc3c2CCNC3)cc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)20-10-3-1-9(2-4-10)19-8-18-11-7-17-6-5-12(11)19/h1-4,8,17H,5-7H2
InChIKeyKKELCGDIDFWSLB-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64853794) is 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)Oc1ccc(-n2cnc3c2CCNC3)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KKELCGDIDFWSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)20-10-3-1-9(2-4-10)19-8-18-11-7-17-6-5-12(11)19/h1-4,8,17H,5-7H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 283.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64853794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).