4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline

C23H22N4 — CID 56722339

IUPAC4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline
SMILESc1ccc(CC2c3nc[nH]c3CCN2Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C23H22N4/c1-2-6-17(7-3-1)14-22-23-21(25-16-26-23)11-13-27(22)15-18-10-12-24-20-9-5-4-8-19(18)20/h1-10,12,16,22H,11,13-15H2,(H,25,26)
InChIKeyUYELOZRHZGIHSX-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.30
Rot. Bonds4

About 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline

4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline (PubChem CID 56722339) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline
PubChem CID56722339
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline
SMILESc1ccc(CC2c3nc[nH]c3CCN2Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C23H22N4/c1-2-6-17(7-3-1)14-22-23-21(25-16-26-23)11-13-27(22)15-18-10-12-24-20-9-5-4-8-19(18)20/h1-10,12,16,22H,11,13-15H2,(H,25,26)
InChIKeyUYELOZRHZGIHSX-UHFFFAOYSA-N
XLogP4.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline?
The IUPAC name of 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline (CID 56722339) is 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline.
What is the SMILES notation for 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline?
The canonical SMILES for 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline is c1ccc(CC2c3nc[nH]c3CCN2Cc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline?
The InChIKey is UYELOZRHZGIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-2-6-17(7-3-1)14-22-23-21(25-16-26-23)11-13-27(22)15-18-10-12-24-20-9-5-4-8-19(18)20/h1-10,12,16,22H,11,13-15H2,(H,25,26).
What are the key properties of 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline?
4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline has a molecular weight of 354.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline is sourced from PubChem (CID 56722339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).