[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate

C28H23N3O2 — CID 3593940

IUPAC[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
SMILESCc1ccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C28H23N3O2/c1-20-16-17-31-25(18-20)30-26(27(31)29-19-21-10-4-2-5-11-21)23-14-8-9-15-24(23)33-28(32)22-12-6-3-7-13-22/h2-18,29H,19H2,1H3
InChIKeyYVOUPABVHAFPCB-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.14
Rot. Bonds6

About [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate

[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate (PubChem CID 3593940) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate.

Molecular Properties

Compound Name[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
PubChem CID3593940
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
SMILESCc1ccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C28H23N3O2/c1-20-16-17-31-25(18-20)30-26(27(31)29-19-21-10-4-2-5-11-21)23-14-8-9-15-24(23)33-28(32)22-12-6-3-7-13-22/h2-18,29H,19H2,1H3
InChIKeyYVOUPABVHAFPCB-UHFFFAOYSA-N
XLogP6.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.14
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)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-bromobenzoate
CID 42743451
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methyl-3-nitrobenzoate
CID 42743449
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloro-4-nitrobenzoate
CID 42743446
2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 809543
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-dimethoxybenzoate
CID 3994721
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate
CID 4000156
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
CID 4659842
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-pentylbenzoate
CID 42658907
[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-bromobenzoate
CID 3926243
[3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-chloro-2,2-dimethylpropanoate
CID 3931184
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 3997507
[3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylprop-2-enoate
CID 4637314

Frequently Asked Questions

What is the IUPAC name of [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate?
The IUPAC name of [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate (CID 3593940) is [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate.
What is the SMILES notation for [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate?
The canonical SMILES for [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate is Cc1ccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)c3ccccc3)nc2c1.
What is the InChIKey of [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate?
The InChIKey is YVOUPABVHAFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-20-16-17-31-25(18-20)30-26(27(31)29-19-21-10-4-2-5-11-21)23-14-8-9-15-24(23)33-28(32)22-12-6-3-7-13-22/h2-18,29H,19H2,1H3.
What are the key properties of [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate?
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate has a molecular weight of 433.51 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate is sourced from PubChem (CID 3593940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).