[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate

C31H37N3O3 — CID 18388185

IUPAC[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate
SMILESCCCCN(CCCC)C(CC)Oc1ccc(-c2cn3cccc(OC(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C31H37N3O3/c1-4-7-20-33(21-8-5-2)29(6-3)36-26-18-16-24(17-19-26)27-23-34-22-12-15-28(30(34)32-27)37-31(35)25-13-10-9-11-14-25/h9-19,22-23,29H,4-8,20-21H2,1-3H3
InChIKeyOLPQUQVPLJHVQJ-UHFFFAOYSA-N
MW499.66 g/mol
LogP7.24
Rot. Bonds13

About [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate

[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate (PubChem CID 18388185) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate.

Molecular Properties

Compound Name[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate
PubChem CID18388185
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate
SMILESCCCCN(CCCC)C(CC)Oc1ccc(-c2cn3cccc(OC(=O)c4ccccc4)c3n2)cc1
InChIInChI=1S/C31H37N3O3/c1-4-7-20-33(21-8-5-2)29(6-3)36-26-18-16-24(17-19-26)27-23-34-22-12-15-28(30(34)32-27)37-31(35)25-13-10-9-11-14-25/h9-19,22-23,29H,4-8,20-21H2,1-3H3
InChIKeyOLPQUQVPLJHVQJ-UHFFFAOYSA-N
XLogP7.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-ol
CID 18388171
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate
CID 171984006
N-butyl-N-[1-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenoxy]propyl]butan-1-amine
CID 21282291
[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371146
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371327
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
N-butyl-N-ethyl-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110498290
N-butyl-N-[1-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenoxy]propyl]butan-1-amine
CID 70415710
[6-(4-butoxyphenyl)-3-pyridinyl] 4-nonylbenzoate
CID 139624220
[6-(4-hexoxyphenyl)-3-pyridinyl] 4-butylbenzoate
CID 139624157
[4-(5-decoxy-2-pyridinyl)phenyl] 4-octylbenzoate
CID 139624169

Frequently Asked Questions

What is the IUPAC name of [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate?
The IUPAC name of [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate (CID 18388185) is [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate.
What is the SMILES notation for [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate?
The canonical SMILES for [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate is CCCCN(CCCC)C(CC)Oc1ccc(-c2cn3cccc(OC(=O)c4ccccc4)c3n2)cc1.
What is the InChIKey of [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate?
The InChIKey is OLPQUQVPLJHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-4-7-20-33(21-8-5-2)29(6-3)36-26-18-16-24(17-19-26)27-23-34-22-12-15-28(30(34)32-27)37-31(35)25-13-10-9-11-14-25/h9-19,22-23,29H,4-8,20-21H2,1-3H3.
What are the key properties of [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate?
[2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate has a molecular weight of 499.66 g/mol, XLogP of 7.24, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[1-(dibutylamino)propoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] benzoate is sourced from PubChem (CID 18388185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).