1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H13F2N3O — CID 64856288

IUPAC1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)Oc1ccccc1-n1cnc2c1CCNC2
InChIInChI=1S/C13H13F2N3O/c14-13(15)19-12-4-2-1-3-11(12)18-8-17-9-7-16-6-5-10(9)18/h1-4,8,13,16H,5-7H2
InChIKeyTXKSZCWTXIGQTH-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856288) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856288
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)Oc1ccccc1-n1cnc2c1CCNC2
InChIInChI=1S/C13H13F2N3O/c14-13(15)19-12-4-2-1-3-11(12)18-8-17-9-7-16-6-5-10(9)18/h1-4,8,13,16H,5-7H2
InChIKeyTXKSZCWTXIGQTH-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856288) is 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)Oc1ccccc1-n1cnc2c1CCNC2.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is TXKSZCWTXIGQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-13(15)19-12-4-2-1-3-11(12)18-8-17-9-7-16-6-5-10(9)18/h1-4,8,13,16H,5-7H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 265.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).