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

C13H14BrN3 — CID 83666328

IUPAC4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCc1ccc(Br)cc1C1NCCc2[nH]cnc21
InChIInChI=1S/C13H14BrN3/c1-8-2-3-9(14)6-10(8)12-13-11(4-5-15-12)16-7-17-13/h2-3,6-7,12,15H,4-5H2,1H3,(H,16,17)
InChIKeyHGCUYOQOTUBYPS-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.72
Rot. Bonds1

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

4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 83666328) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID83666328
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCc1ccc(Br)cc1C1NCCc2[nH]cnc21
InChIInChI=1S/C13H14BrN3/c1-8-2-3-9(14)6-10(8)12-13-11(4-5-15-12)16-7-17-13/h2-3,6-7,12,15H,4-5H2,1H3,(H,16,17)
InChIKeyHGCUYOQOTUBYPS-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 83666328) is 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is Cc1ccc(Br)cc1C1NCCc2[nH]cnc21.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is HGCUYOQOTUBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-2-3-9(14)6-10(8)12-13-11(4-5-15-12)16-7-17-13/h2-3,6-7,12,15H,4-5H2,1H3,(H,16,17).
What are the key properties of 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 292.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 83666328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).