N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

C26H37N3O — CID 10179589

IUPACN-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2nc3c(C)cccn3c2C)cc1
InChIInChI=1S/C26H37N3O/c1-5-7-16-28(17-8-6-2)18-10-20-30-24-14-12-23(13-15-24)25-22(4)29-19-9-11-21(3)26(29)27-25/h9,11-15,19H,5-8,10,16-18,20H2,1-4H3
InChIKeyJGTFKZYSJZHMFL-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.29
Rot. Bonds12

About N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine

N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (PubChem CID 10179589) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
PubChem CID10179589
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC NameN-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc(-c2nc3c(C)cccn3c2C)cc1
InChIInChI=1S/C26H37N3O/c1-5-7-16-28(17-8-6-2)18-10-20-30-24-14-12-23(13-15-24)25-22(4)29-19-9-11-21(3)26(29)27-25/h9,11-15,19H,5-8,10,16-18,20H2,1-4H3
InChIKeyJGTFKZYSJZHMFL-UHFFFAOYSA-N
XLogP6.29
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.29
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

3-(4-(2-Butyl-1-(4-(4-chlorophenoxy)phenyl)-1H-imidazol-4-yl)phenoxy)-N,N-diethyl-1-propanamine
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Sch 28080
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7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
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CID 26412
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
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Methyl substituted pyrazole, 27
CID 23648674
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine (CID 10179589) is N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is CCCCN(CCCC)CCCOc1ccc(-c2nc3c(C)cccn3c2C)cc1.
What is the InChIKey of N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
The InChIKey is JGTFKZYSJZHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-5-7-16-28(17-8-6-2)18-10-20-30-24-14-12-23(13-15-24)25-22(4)29-19-9-11-21(3)26(29)27-25/h9,11-15,19H,5-8,10,16-18,20H2,1-4H3.
What are the key properties of N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine?
N-butyl-N-[3-[4-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine has a molecular weight of 407.60 g/mol, XLogP of 6.29, 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-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine is sourced from PubChem (CID 10179589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).