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

C12H12BrN3 — CID 83665608

IUPAC2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESBrc1nc2c([nH]1)CCNC2c1ccccc1
InChIInChI=1S/C12H12BrN3/c13-12-15-9-6-7-14-10(11(9)16-12)8-4-2-1-3-5-8/h1-5,10,14H,6-7H2,(H,15,16)
InChIKeyLNEROWZSWKWODI-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.41
Rot. Bonds1

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

2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 83665608) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID83665608
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESBrc1nc2c([nH]1)CCNC2c1ccccc1
InChIInChI=1S/C12H12BrN3/c13-12-15-9-6-7-14-10(11(9)16-12)8-4-2-1-3-5-8/h1-5,10,14H,6-7H2,(H,15,16)
InChIKeyLNEROWZSWKWODI-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 83665608) is 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is Brc1nc2c([nH]1)CCNC2c1ccccc1.
What is the InChIKey of 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is LNEROWZSWKWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-12-15-9-6-7-14-10(11(9)16-12)8-4-2-1-3-5-8/h1-5,10,14H,6-7H2,(H,15,16).
What are the key properties of 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 278.15 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 83665608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).