[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate

C34H27N3O2 — CID 42743727

IUPAC[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
SMILESCc1cccn2c(NCc3ccccc3)c(-c3cccc(OC(=O)c4ccc(-c5ccccc5)cc4)c3)nc12
InChIInChI=1S/C34H27N3O2/c1-24-10-9-21-37-32(24)36-31(33(37)35-23-25-11-4-2-5-12-25)29-15-8-16-30(22-29)39-34(38)28-19-17-27(18-20-28)26-13-6-3-7-14-26/h2-22,35H,23H2,1H3
InChIKeySRMHTASJVXSJBJ-UHFFFAOYSA-N
MW509.61 g/mol
LogP7.81
Rot. Bonds7

About [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate

[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate (PubChem CID 42743727) has the molecular formula C34H27N3O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
PubChem CID42743727
Molecular FormulaC34H27N3O2
Molecular Weight509.61 g/mol
Exact Mass509.21
IUPAC Name[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
SMILESCc1cccn2c(NCc3ccccc3)c(-c3cccc(OC(=O)c4ccc(-c5ccccc5)cc4)c3)nc12
InChIInChI=1S/C34H27N3O2/c1-24-10-9-21-37-32(24)36-31(33(37)35-23-25-11-4-2-5-12-25)29-15-8-16-30(22-29)39-34(38)28-19-17-27(18-20-28)26-13-6-3-7-14-26/h2-22,35H,23H2,1H3
InChIKeySRMHTASJVXSJBJ-UHFFFAOYSA-N
XLogP7.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloropropanoate
CID 3899423
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
CID 6050171
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] heptanoate
CID 4253763
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-thiophen-2-ylacetate
CID 4683603
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-dimethoxybenzoate
CID 3994721
[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
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
CID 3349532
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate
CID 42743708
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate
CID 3997505

Frequently Asked Questions

What is the IUPAC name of [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate?
The IUPAC name of [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate (CID 42743727) is [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate.
What is the SMILES notation for [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate?
The canonical SMILES for [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate is Cc1cccn2c(NCc3ccccc3)c(-c3cccc(OC(=O)c4ccc(-c5ccccc5)cc4)c3)nc12.
What is the InChIKey of [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate?
The InChIKey is SRMHTASJVXSJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O2/c1-24-10-9-21-37-32(24)36-31(33(37)35-23-25-11-4-2-5-12-25)29-15-8-16-30(22-29)39-34(38)28-19-17-27(18-20-28)26-13-6-3-7-14-26/h2-22,35H,23H2,1H3.
What are the key properties of [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate?
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate has a molecular weight of 509.61 g/mol, XLogP of 7.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate is sourced from PubChem (CID 42743727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).