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

C15H17F2N3O — CID 64857907

IUPAC1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1-c1ccc(OC(F)F)cc1)CCNC2
InChIInChI=1S/C15H17F2N3O/c1-2-14-19-12-9-18-8-7-13(12)20(14)10-3-5-11(6-4-10)21-15(16)17/h3-6,15,18H,2,7-9H2,1H3
InChIKeyZBCPQMBRJOQFPV-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.68
Rot. Bonds4

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

1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857907) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857907
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1-c1ccc(OC(F)F)cc1)CCNC2
InChIInChI=1S/C15H17F2N3O/c1-2-14-19-12-9-18-8-7-13(12)20(14)10-3-5-11(6-4-10)21-15(16)17/h3-6,15,18H,2,7-9H2,1H3
InChIKeyZBCPQMBRJOQFPV-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857907) is 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c(n1-c1ccc(OC(F)F)cc1)CCNC2.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ZBCPQMBRJOQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-14-19-12-9-18-8-7-13(12)20(14)10-3-5-11(6-4-10)21-15(16)17/h3-6,15,18H,2,7-9H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 293.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).