5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C21H24N4O — CID 118739396

IUPAC5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCc1cccnc1)N(Cc1ccccc1)CC2
InChIInChI=1S/C21H24N4O/c1-24-16-23-19-9-11-25(13-17-6-3-2-4-7-17)20(21(19)24)15-26-14-18-8-5-10-22-12-18/h2-8,10,12,16,20H,9,11,13-15H2,1H3
InChIKeyZNELGJTYLBQHFN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.13
Rot. Bonds6

About 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739396) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739396
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCc1cccnc1)N(Cc1ccccc1)CC2
InChIInChI=1S/C21H24N4O/c1-24-16-23-19-9-11-25(13-17-6-3-2-4-7-17)20(21(19)24)15-26-14-18-8-5-10-22-12-18/h2-8,10,12,16,20H,9,11,13-15H2,1H3
InChIKeyZNELGJTYLBQHFN-UHFFFAOYSA-N
XLogP3.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

SB-210313
CID 9885504
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(3,5-difluoro-phenyl)-pyridine-2-carbonitrile
CID 10138186
1-methyl-2-[[(1S,5R)-6-[[5-(trifluoromethyl)-2-pyridinyl]methoxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]benzimidazole
CID 73755201
1-[2-(4-fluorophenyl)-3-(2-phenylmethoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 44419899
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
8-Methyl-2-[4-(3-morpholin-4-yl-propoxy)-phenyl]-imidazo[1,2-a]pyridine
CID 14201504
(6S)-6-[[6-(4-fluorophenyl)-3-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851291
4-[3-[6-(2-Methoxyethyl)pyridin-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380290
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739396) is 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1C(COCc1cccnc1)N(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is ZNELGJTYLBQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-16-23-19-9-11-25(13-17-6-3-2-4-7-17)20(21(19)24)15-26-14-18-8-5-10-22-12-18/h2-8,10,12,16,20H,9,11,13-15H2,1H3.
What are the key properties of 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 348.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).