2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol

C25H35N3O2 — CID 70417422

IUPAC2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol
SMILESCCCCN(CCCC)CCCOc1ccc(Cc2cn3cccc(O)c3n2)cc1
InChIInChI=1S/C25H35N3O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-23-12-10-21(11-13-23)19-22-20-28-17-7-9-24(29)25(28)26-22/h7,9-13,17,20,29H,3-6,8,14-16,18-19H2,1-2H3
InChIKeyNVRYBVJVOOSDFS-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.30
Rot. Bonds13

About 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol

2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol (PubChem CID 70417422) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol
PubChem CID70417422
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol
SMILESCCCCN(CCCC)CCCOc1ccc(Cc2cn3cccc(O)c3n2)cc1
InChIInChI=1S/C25H35N3O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-23-12-10-21(11-13-23)19-22-20-28-17-7-9-24(29)25(28)26-22/h7,9-13,17,20,29H,3-6,8,14-16,18-19H2,1-2H3
InChIKeyNVRYBVJVOOSDFS-UHFFFAOYSA-N
XLogP5.30
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol with MolForge

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Related Compounds

N-butyl-N-[3-[3-methyl-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]butan-1-amine
CID 14201510
2-[(4-bromophenyl)methyl]imidazo[1,2-a]pyridin-8-ol
CID 117137466
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol
CID 18388171
[2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-8-yl]methanamine
CID 82223273
N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;hydrochloride
CID 19800255
(2R)-1-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methylamino]propan-2-ol
CID 95041192
2-[(4-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 117137460
2-[(4-chlorophenyl)methyl]-8-methoxyimidazo[1,2-a]pyridine
CID 117137413
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
8-chloro-2-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137468
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol?
The IUPAC name of 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol (CID 70417422) is 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol is CCCCN(CCCC)CCCOc1ccc(Cc2cn3cccc(O)c3n2)cc1.
What is the InChIKey of 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol?
The InChIKey is NVRYBVJVOOSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-23-12-10-21(11-13-23)19-22-20-28-17-7-9-24(29)25(28)26-22/h7,9-13,17,20,29H,3-6,8,14-16,18-19H2,1-2H3.
What are the key properties of 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol?
2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol has a molecular weight of 409.57 g/mol, XLogP of 5.30, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(dibutylamino)propoxy]phenyl]methyl]imidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 70417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).