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

C26H27N3O2 — CID 42743732

IUPAC[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate
SMILESCc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)C(C)(C)C)nc12
InChIInChI=1S/C26H27N3O2/c1-18-11-10-16-29-23(18)28-22(24(29)27-17-19-12-6-5-7-13-19)20-14-8-9-15-21(20)31-25(30)26(2,3)4/h5-16,27H,17H2,1-4H3
InChIKeyDSWZMDPSVYTYCD-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.87
Rot. Bonds5

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

[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate (PubChem CID 42743732) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate
PubChem CID42743732
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate
SMILESCc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)C(C)(C)C)nc12
InChIInChI=1S/C26H27N3O2/c1-18-11-10-16-29-23(18)28-22(24(29)27-17-19-12-6-5-7-13-19)20-14-8-9-15-21(20)31-25(30)26(2,3)4/h5-16,27H,17H2,1-4H3
InChIKeyDSWZMDPSVYTYCD-UHFFFAOYSA-N
XLogP5.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.87
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

[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] 2-phenylmethoxyacetate
CID 3997505
[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] 4-phenylbenzoate
CID 42743727
[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
[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] heptanoate
CID 4253763
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-thiophen-2-ylacetate
CID 4683603

Frequently Asked Questions

What is the IUPAC name of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate (CID 42743732) is [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate is Cc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)C(C)(C)C)nc12.
What is the InChIKey of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is DSWZMDPSVYTYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-11-10-16-29-23(18)28-22(24(29)27-17-19-12-6-5-7-13-19)20-14-8-9-15-21(20)31-25(30)26(2,3)4/h5-16,27H,17H2,1-4H3.
What are the key properties of [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate?
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 413.52 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 42743732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).