[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate

C30H27N3O3 — CID 3997505

IUPAC[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate
SMILESCc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)COCc3ccccc3)nc12
InChIInChI=1S/C30H27N3O3/c1-22-11-10-18-33-29(22)32-28(30(33)31-19-23-12-4-2-5-13-23)25-16-8-9-17-26(25)36-27(34)21-35-20-24-14-6-3-7-15-24/h2-18,31H,19-21H2,1H3
InChIKeyYTCADAWBABQRAQ-UHFFFAOYSA-N
MW477.56 g/mol
LogP6.04
Rot. Bonds9

About [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate

[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate (PubChem CID 3997505) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate.

Molecular Properties

Compound Name[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate
PubChem CID3997505
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate
SMILESCc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)COCc3ccccc3)nc12
InChIInChI=1S/C30H27N3O3/c1-22-11-10-18-33-29(22)32-28(30(33)31-19-23-12-4-2-5-13-23)25-16-8-9-17-26(25)36-27(34)21-35-20-24-14-6-3-7-15-24/h2-18,31H,19-21H2,1H3
InChIKeyYTCADAWBABQRAQ-UHFFFAOYSA-N
XLogP6.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate
CID 42743732
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 3997507
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-dimethoxybenzoate
CID 3994721
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812
N-benzyl-2-(2-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3532130
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloropropanoate
CID 3899423
4-O-[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 1-O-ethyl butanedioate
CID 4990255
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
CID 42743727
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] heptanoate
CID 4253763
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
CID 6050171
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-thiophen-2-ylacetate
CID 4683603
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
CID 3593940

Frequently Asked Questions

What is the IUPAC name of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate?
The IUPAC name of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate (CID 3997505) is [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate.
What is the SMILES notation for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate?
The canonical SMILES for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate is Cc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)COCc3ccccc3)nc12.
What is the InChIKey of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate?
The InChIKey is YTCADAWBABQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-22-11-10-18-33-29(22)32-28(30(33)31-19-23-12-4-2-5-13-23)25-16-8-9-17-26(25)36-27(34)21-35-20-24-14-6-3-7-15-24/h2-18,31H,19-21H2,1H3.
What are the key properties of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate?
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate has a molecular weight of 477.56 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate is sourced from PubChem (CID 3997505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).