1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C14H15F2N3 — CID 64854172

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFc1cc(F)cc(CCn2cnc3c2CCNC3)c1
InChIInChI=1S/C14H15F2N3/c15-11-5-10(6-12(16)7-11)2-4-19-9-18-13-8-17-3-1-14(13)19/h5-7,9,17H,1-4,8H2
InChIKeyYIIGKUSZIYEKLJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64854172) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64854172
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFc1cc(F)cc(CCn2cnc3c2CCNC3)c1
InChIInChI=1S/C14H15F2N3/c15-11-5-10(6-12(16)7-11)2-4-19-9-18-13-8-17-3-1-14(13)19/h5-7,9,17H,1-4,8H2
InChIKeyYIIGKUSZIYEKLJ-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64854172) is 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Fc1cc(F)cc(CCn2cnc3c2CCNC3)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is YIIGKUSZIYEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-11-5-10(6-12(16)7-11)2-4-19-9-18-13-8-17-3-1-14(13)19/h5-7,9,17H,1-4,8H2.
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 263.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64854172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).