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

C22H22Cl2F3N3O — CID 10504614

IUPAC2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C22H22Cl2F3N3O/c1-3-9-29(10-4-2)19(31)12-18-20(14-5-7-16(23)8-6-14)28-21-17(24)11-15(13-30(18)21)22(25,26)27/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyXSYYUVNSBNMFQP-UHFFFAOYSA-N
MW472.34 g/mol
LogP6.52
Rot. Bonds7

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

2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 10504614) has the molecular formula C22H22Cl2F3N3O and a molecular weight of 472.34 g/mol. Its IUPAC name is 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID10504614
Molecular FormulaC22H22Cl2F3N3O
Molecular Weight472.34 g/mol
Exact Mass471.11
IUPAC Name2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C22H22Cl2F3N3O/c1-3-9-29(10-4-2)19(31)12-18-20(14-5-7-16(23)8-6-14)28-21-17(24)11-15(13-30(18)21)22(25,26)27/h5-8,11,13H,3-4,9-10,12H2,1-2H3
InChIKeyXSYYUVNSBNMFQP-UHFFFAOYSA-N
XLogP6.52
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.34
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 10504614) is 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is XSYYUVNSBNMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F3N3O/c1-3-9-29(10-4-2)19(31)12-18-20(14-5-7-16(23)8-6-14)28-21-17(24)11-15(13-30(18)21)22(25,26)27/h5-8,11,13H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 472.34 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10504614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).