2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine

C14H20N4 — CID 114239785

IUPAC2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
SMILESCn1c(C2CCCCCCN2)nc2ncccc21
InChIInChI=1S/C14H20N4/c1-18-12-8-6-10-16-13(12)17-14(18)11-7-4-2-3-5-9-15-11/h6,8,10-11,15H,2-5,7,9H2,1H3
InChIKeyLKNMBSUQFBHFHN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.56
Rot. Bonds1

About 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine

2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine (PubChem CID 114239785) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
PubChem CID114239785
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
SMILESCn1c(C2CCCCCCN2)nc2ncccc21
InChIInChI=1S/C14H20N4/c1-18-12-8-6-10-16-13(12)17-14(18)11-7-4-2-3-5-9-15-11/h6,8,10-11,15H,2-5,7,9H2,1H3
InChIKeyLKNMBSUQFBHFHN-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(4-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 114113135
1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
CID 84629728
2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
CID 64559378
3-(1-methylpiperidin-2-yl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162893
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
1-(3-piperidin-2-yl-2-pyridinyl)azepane
CID 102541861
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine (CID 114239785) is 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine is Cn1c(C2CCCCCCN2)nc2ncccc21.
What is the InChIKey of 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The InChIKey is LKNMBSUQFBHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18-12-8-6-10-16-13(12)17-14(18)11-7-4-2-3-5-9-15-11/h6,8,10-11,15H,2-5,7,9H2,1H3.
What are the key properties of 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine?
2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine has a molecular weight of 244.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 114239785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).