2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C11H18N4 — CID 117166850

IUPAC2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCN1CCC(c2nc3c([nH]2)CNCC3)C1
InChIInChI=1S/C11H18N4/c1-15-5-3-8(7-15)11-13-9-2-4-12-6-10(9)14-11/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyQCNBQLXZLSEJOS-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.47
Rot. Bonds1

About 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 117166850) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID117166850
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCN1CCC(c2nc3c([nH]2)CNCC3)C1
InChIInChI=1S/C11H18N4/c1-15-5-3-8(7-15)11-13-9-2-4-12-6-10(9)14-11/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyQCNBQLXZLSEJOS-UHFFFAOYSA-N
XLogP0.47
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 117166850) is 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CN1CCC(c2nc3c([nH]2)CNCC3)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is QCNBQLXZLSEJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-15-5-3-8(7-15)11-13-9-2-4-12-6-10(9)14-11/h8,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 206.29 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 117166850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).