N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride

C24H34ClN3O — CID 52947788

IUPACN-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3ccccc3n2)cc1.Cl
InChIInChI=1S/C24H33N3O.ClH/c1-3-5-15-26(16-6-4-2)17-9-19-28-22-13-11-21(12-14-22)23-20-27-18-8-7-10-24(27)25-23;/h7-8,10-14,18,20H,3-6,9,15-17,19H2,1-2H3;1H
InChIKeyAHMJGSZZZMMMDP-UHFFFAOYSA-N
MW416.01 g/mol
LogP6.09
Rot. Bonds12

About N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride

N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride (PubChem CID 52947788) has the molecular formula C24H34ClN3O and a molecular weight of 416.01 g/mol. Its IUPAC name is N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
PubChem CID52947788
Molecular FormulaC24H34ClN3O
Molecular Weight416.01 g/mol
Exact Mass415.24
IUPAC NameN-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
SMILESCCCCN(CCCC)CCCOc1ccc(-c2cn3ccccc3n2)cc1.Cl
InChIInChI=1S/C24H33N3O.ClH/c1-3-5-15-26(16-6-4-2)17-9-19-28-22-13-11-21(12-14-22)23-20-27-18-8-7-10-24(27)25-23;/h7-8,10-14,18,20H,3-6,9,15-17,19H2,1-2H3;1H
InChIKeyAHMJGSZZZMMMDP-UHFFFAOYSA-N
XLogP6.09
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.01
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;hydrochloride
CID 19800255
2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
CID 135215156
N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine
CID 14146321
2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol
CID 70417422
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
CID 14201510
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481
2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19732600
3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 142805755
N-butyl-N-[3-[4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
CID 14773969
3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
CID 24880821

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride?
The IUPAC name of N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride (CID 52947788) is N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride.
What is the SMILES notation for N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride?
The canonical SMILES for N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride is CCCCN(CCCC)CCCOc1ccc(-c2cn3ccccc3n2)cc1.Cl.
What is the InChIKey of N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride?
The InChIKey is AHMJGSZZZMMMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.ClH/c1-3-5-15-26(16-6-4-2)17-9-19-28-22-13-11-21(12-14-22)23-20-27-18-8-7-10-24(27)25-23;/h7-8,10-14,18,20H,3-6,9,15-17,19H2,1-2H3;1H.
What are the key properties of N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride?
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride has a molecular weight of 416.01 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 52947788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).