4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C12H11BrFN3 — CID 42648455

IUPAC4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(Br)ccc1C1NCCc2[nH]cnc21
InChIInChI=1S/C12H11BrFN3/c13-7-1-2-8(9(14)5-7)11-12-10(3-4-15-11)16-6-17-12/h1-2,5-6,11,15H,3-4H2,(H,16,17)
InChIKeyKNINEJFEMKSAON-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.55
Rot. Bonds1

About 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 42648455) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID42648455
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(Br)ccc1C1NCCc2[nH]cnc21
InChIInChI=1S/C12H11BrFN3/c13-7-1-2-8(9(14)5-7)11-12-10(3-4-15-11)16-6-17-12/h1-2,5-6,11,15H,3-4H2,(H,16,17)
InChIKeyKNINEJFEMKSAON-UHFFFAOYSA-N
XLogP2.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 42648455) is 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is Fc1cc(Br)ccc1C1NCCc2[nH]cnc21.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is KNINEJFEMKSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c13-7-1-2-8(9(14)5-7)11-12-10(3-4-15-11)16-6-17-12/h1-2,5-6,11,15H,3-4H2,(H,16,17).
What are the key properties of 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 296.14 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 42648455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).