2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide

C21H24BrN3O — CID 10047394

IUPAC2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C21H24BrN3O/c1-3-12-24(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)23-19-11-10-17(22)15-25(18)19/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyBENQQKWGAOTNGU-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.95
Rot. Bonds7

About 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide

2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide (PubChem CID 10047394) has the molecular formula C21H24BrN3O and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
PubChem CID10047394
Molecular FormulaC21H24BrN3O
Molecular Weight414.35 g/mol
Exact Mass413.11
IUPAC Name2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C21H24BrN3O/c1-3-12-24(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)23-19-11-10-17(22)15-25(18)19/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyBENQQKWGAOTNGU-UHFFFAOYSA-N
XLogP4.95
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide (CID 10047394) is 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
The InChIKey is BENQQKWGAOTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O/c1-3-12-24(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)23-19-11-10-17(22)15-25(18)19/h5-11,15H,3-4,12-14H2,1-2H3.
What are the key properties of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide?
2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide has a molecular weight of 414.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 10047394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).