2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C12H13N3 — CID 12037656

IUPAC2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nc3c([nH]2)CNCC3)cc1
InChIInChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2,(H,14,15)
InChIKeyQTCSWUNYWAOZHC-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.72
Rot. Bonds1

About 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 12037656) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID12037656
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nc3c([nH]2)CNCC3)cc1
InChIInChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2,(H,14,15)
InChIKeyQTCSWUNYWAOZHC-UHFFFAOYSA-N
XLogP1.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 12037656) is 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is c1ccc(-c2nc3c([nH]2)CNCC3)cc1.
What is the InChIKey of 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is QTCSWUNYWAOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2,(H,14,15).
What are the key properties of 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 199.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 12037656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).