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

C13H14FN3 — CID 64857668

IUPAC1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1c(F)cccc1-n1cnc2c1CCNC2
InChIInChI=1S/C13H14FN3/c1-9-10(14)3-2-4-12(9)17-8-16-11-7-15-6-5-13(11)17/h2-4,8,15H,5-7H2,1H3
InChIKeyQHRZPLLBFWKCPG-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.97
Rot. Bonds1

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

1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857668) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857668
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1c(F)cccc1-n1cnc2c1CCNC2
InChIInChI=1S/C13H14FN3/c1-9-10(14)3-2-4-12(9)17-8-16-11-7-15-6-5-13(11)17/h2-4,8,15H,5-7H2,1H3
InChIKeyQHRZPLLBFWKCPG-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857668) is 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1c(F)cccc1-n1cnc2c1CCNC2.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QHRZPLLBFWKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-10(14)3-2-4-12(9)17-8-16-11-7-15-6-5-13(11)17/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 231.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).