[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate

C29H25N3O2 — CID 3349532

IUPAC[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H25N3O2/c1-2-21-11-13-24(14-12-21)29(33)34-25-17-15-23(16-18-25)27-28(30-20-22-8-4-3-5-9-22)32-19-7-6-10-26(32)31-27/h3-19,30H,2,20H2,1H3
InChIKeyUQXQPKKYOLUFGP-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.39
Rot. Bonds7

About [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate

[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate (PubChem CID 3349532) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
PubChem CID3349532
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H25N3O2/c1-2-21-11-13-24(14-12-21)29(33)34-25-17-15-23(16-18-25)27-28(30-20-22-8-4-3-5-9-22)32-19-7-6-10-26(32)31-27/h3-19,30H,2,20H2,1H3
InChIKeyUQXQPKKYOLUFGP-UHFFFAOYSA-N
XLogP6.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate
CID 42743708
methyl 4-[3-[[4-(dimethylamino)phenyl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 11003904
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
CID 127040833
N-benzyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 70676789
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 164835750
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
CID 42743727
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
CID 3593940
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
4-butyl-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693948
N-benzyl-2-[4-(3-chlorophenyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 42601069

Frequently Asked Questions

What is the IUPAC name of [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate?
The IUPAC name of [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate (CID 3349532) is [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate.
What is the SMILES notation for [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate?
The canonical SMILES for [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate is CCc1ccc(C(=O)Oc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)cc1.
What is the InChIKey of [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate?
The InChIKey is UQXQPKKYOLUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-2-21-11-13-24(14-12-21)29(33)34-25-17-15-23(16-18-25)27-28(30-20-22-8-4-3-5-9-22)32-19-7-6-10-26(32)31-27/h3-19,30H,2,20H2,1H3.
What are the key properties of [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate?
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate has a molecular weight of 447.54 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate is sourced from PubChem (CID 3349532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).