1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H12F3N3O — CID 64856076

IUPAC1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)Oc1cccc(-n2cnc3c2CCNC3)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)20-10-3-1-2-9(6-10)19-8-18-11-7-17-5-4-12(11)19/h1-3,6,8,17H,4-5,7H2
InChIKeyFVUBKWIAZDSRJA-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.42
Rot. Bonds2

About 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856076) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856076
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)Oc1cccc(-n2cnc3c2CCNC3)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)20-10-3-1-2-9(6-10)19-8-18-11-7-17-5-4-12(11)19/h1-3,6,8,17H,4-5,7H2
InChIKeyFVUBKWIAZDSRJA-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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Related Compounds

1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64853794
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856269
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856288
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
2-[3-(trifluoromethoxy)phenyl]tetrazolidin-5-one
CID 87967895
N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline
CID 64853991
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393
2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773
2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
CID 175262358
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 171036994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856076) is 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)Oc1cccc(-n2cnc3c2CCNC3)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is FVUBKWIAZDSRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)20-10-3-1-2-9(6-10)19-8-18-11-7-17-5-4-12(11)19/h1-3,6,8,17H,4-5,7H2.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[3-(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-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).