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

C29H25N3O3 — CID 3997507

IUPAC[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccccc1-c1nc2c(C)cccn2c1NCc1ccccc1
InChIInChI=1S/C29H25N3O3/c1-20-11-10-18-32-27(20)31-26(28(32)30-19-21-12-4-3-5-13-21)22-14-6-9-17-25(22)35-29(33)23-15-7-8-16-24(23)34-2/h3-18,30H,19H2,1-2H3
InChIKeyKXAUXJXJIXQBOT-UHFFFAOYSA-N
MW463.54 g/mol
LogP6.15
Rot. Bonds7

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

[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate (PubChem CID 3997507) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
PubChem CID3997507
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccccc1-c1nc2c(C)cccn2c1NCc1ccccc1
InChIInChI=1S/C29H25N3O3/c1-20-11-10-18-32-27(20)31-26(28(32)30-19-21-12-4-3-5-13-21)22-14-6-9-17-25(22)35-29(33)23-15-7-8-16-24(23)34-2/h3-18,30H,19H2,1-2H3
InChIKeyKXAUXJXJIXQBOT-UHFFFAOYSA-N
XLogP6.15
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 56.15
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] 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-phenylmethoxyacetate
CID 3997505
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-bromobenzoate
CID 42743451
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] 4-phenylbenzoate
CID 42743727
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
CID 3593940
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloropropanoate
CID 3899423
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 5111233
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
CID 6050171

Frequently Asked Questions

What is the IUPAC name of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate?
The IUPAC name of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate (CID 3997507) is [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate?
The canonical SMILES for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccccc1-c1nc2c(C)cccn2c1NCc1ccccc1.
What is the InChIKey of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate?
The InChIKey is KXAUXJXJIXQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c1-20-11-10-18-32-27(20)31-26(28(32)30-19-21-12-4-3-5-13-21)22-14-6-9-17-25(22)35-29(33)23-15-7-8-16-24(23)34-2/h3-18,30H,19H2,1-2H3.
What are the key properties of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate?
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate has a molecular weight of 463.54 g/mol, XLogP of 6.15, 7 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-methoxybenzoate is sourced from PubChem (CID 3997507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).