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

C14H14F3N3 — CID 64856917

IUPAC2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1-c1ccc(F)c(F)c1F)CCNC2
InChIInChI=1S/C14H14F3N3/c1-2-12-19-9-7-18-6-5-10(9)20(12)11-4-3-8(15)13(16)14(11)17/h3-4,18H,2,5-7H2,1H3
InChIKeyWHKUVXSIHRTRSB-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.50
Rot. Bonds2

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

2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856917) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856917
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1-c1ccc(F)c(F)c1F)CCNC2
InChIInChI=1S/C14H14F3N3/c1-2-12-19-9-7-18-6-5-10(9)20(12)11-4-3-8(15)13(16)14(11)17/h3-4,18H,2,5-7H2,1H3
InChIKeyWHKUVXSIHRTRSB-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856917) is 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c(n1-c1ccc(F)c(F)c1F)CCNC2.
What is the InChIKey of 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WHKUVXSIHRTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-12-19-9-7-18-6-5-10(9)20(12)11-4-3-8(15)13(16)14(11)17/h3-4,18H,2,5-7H2,1H3.
What are the key properties of 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 281.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).