2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C21H22Br2ClN3O — CID 10506326

IUPAC2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Br)cc(Br)cn12
InChIInChI=1S/C21H22Br2ClN3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-16(24)8-6-14)25-21-17(23)11-15(22)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyMMSZQFBSGQAGMS-UHFFFAOYSA-N
MW527.69 g/mol
LogP6.37
Rot. Bonds7

About 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 10506326) has the molecular formula C21H22Br2ClN3O and a molecular weight of 527.69 g/mol. Its IUPAC name is 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID10506326
Molecular FormulaC21H22Br2ClN3O
Molecular Weight527.69 g/mol
Exact Mass524.98
IUPAC Name2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Br)cc(Br)cn12
InChIInChI=1S/C21H22Br2ClN3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-16(24)8-6-14)25-21-17(23)11-15(22)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyMMSZQFBSGQAGMS-UHFFFAOYSA-N
XLogP6.37
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 10506326) is 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Br)cc(Br)cn12.
What is the InChIKey of 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is MMSZQFBSGQAGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2ClN3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-16(24)8-6-14)25-21-17(23)11-15(22)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 527.69 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dibromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).