[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate

C15H11Cl2N3O2 — CID 147073827

IUPAC[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
SMILESO=COc1c(NCc2cc(Cl)cc(Cl)c2)ccc2nccn12
InChIInChI=1S/C15H11Cl2N3O2/c16-11-5-10(6-12(17)7-11)8-19-13-1-2-14-18-3-4-20(14)15(13)22-9-21/h1-7,9,19H,8H2
InChIKeyBFOKVWIGPDUQOW-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.79
Rot. Bonds5

About [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate

[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate (PubChem CID 147073827) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate.

Molecular Properties

Compound Name[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
PubChem CID147073827
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate
SMILESO=COc1c(NCc2cc(Cl)cc(Cl)c2)ccc2nccn12
InChIInChI=1S/C15H11Cl2N3O2/c16-11-5-10(6-12(17)7-11)8-19-13-1-2-14-18-3-4-20(14)15(13)22-9-21/h1-7,9,19H,8H2
InChIKeyBFOKVWIGPDUQOW-UHFFFAOYSA-N
XLogP3.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
The IUPAC name of [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate (CID 147073827) is [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate.
What is the SMILES notation for [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
The canonical SMILES for [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate is O=COc1c(NCc2cc(Cl)cc(Cl)c2)ccc2nccn12.
What is the InChIKey of [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
The InChIKey is BFOKVWIGPDUQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-11-5-10(6-12(17)7-11)8-19-13-1-2-14-18-3-4-20(14)15(13)22-9-21/h1-7,9,19H,8H2.
What are the key properties of [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate?
[6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate has a molecular weight of 336.18 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridin-5-yl] formate is sourced from PubChem (CID 147073827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).