2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine

C22H17Cl2N3O2 — CID 25117011

IUPAC2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3c(Cl)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C22H17Cl2N3O2/c1-13-4-2-7-19-26-21(20-15(23)5-3-6-16(20)24)22(27(13)19)25-14-8-9-17-18(12-14)29-11-10-28-17/h2-9,12,25H,10-11H2,1H3
InChIKeyUMJSEGQFPXWSMX-UHFFFAOYSA-N
MW426.30 g/mol
LogP6.13
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine

2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 25117011) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID25117011
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3c(Cl)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C22H17Cl2N3O2/c1-13-4-2-7-19-26-21(20-15(23)5-3-6-16(20)24)22(27(13)19)25-14-8-9-17-18(12-14)29-11-10-28-17/h2-9,12,25H,10-11H2,1H3
InChIKeyUMJSEGQFPXWSMX-UHFFFAOYSA-N
XLogP6.13
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 25117011) is 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3c(Cl)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is UMJSEGQFPXWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-13-4-2-7-19-26-21(20-15(23)5-3-6-16(20)24)22(27(13)19)25-14-8-9-17-18(12-14)29-11-10-28-17/h2-9,12,25H,10-11H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 426.30 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 25117011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).