2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine

C18H20N4 — CID 141272197

IUPAC2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(CN2CCC(c3nc4ncccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-22-11-8-15(9-12-22)17-20-16-7-4-10-19-18(16)21-17/h1-7,10,15H,8-9,11-13H2,(H,19,20,21)
InChIKeyKMHHIMOLXYYHFI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.34
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine

2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 141272197) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID141272197
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(CN2CCC(c3nc4ncccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-22-11-8-15(9-12-22)17-20-16-7-4-10-19-18(16)21-17/h1-7,10,15H,8-9,11-13H2,(H,19,20,21)
InChIKeyKMHHIMOLXYYHFI-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline
CID 51137037
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 75615034
2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 75131770
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902800
5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
CID 67360741
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine (CID 141272197) is 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine is c1ccc(CN2CCC(c3nc4ncccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is KMHHIMOLXYYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-22-11-8-15(9-12-22)17-20-16-7-4-10-19-18(16)21-17/h1-7,10,15H,8-9,11-13H2,(H,19,20,21).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine?
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 292.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 141272197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).