3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide

C26H26ClN3O — CID 91634594

IUPAC3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3cccc(C)c3)cn12
InChIInChI=1S/C26H26ClN3O/c1-3-15-28-25(31)14-12-23-26(19-7-10-22(27)11-8-19)29-24-13-9-21(17-30(23)24)20-6-4-5-18(2)16-20/h4-11,13,16-17H,3,12,14-15H2,1-2H3,(H,28,31)
InChIKeyNBEDPLJMBRIBNZ-UHFFFAOYSA-N
MW431.97 g/mol
LogP6.09
Rot. Bonds7

About 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide

3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide (PubChem CID 91634594) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide
PubChem CID91634594
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3cccc(C)c3)cn12
InChIInChI=1S/C26H26ClN3O/c1-3-15-28-25(31)14-12-23-26(19-7-10-22(27)11-8-19)29-24-13-9-21(17-30(23)24)20-6-4-5-18(2)16-20/h4-11,13,16-17H,3,12,14-15H2,1-2H3,(H,28,31)
InChIKeyNBEDPLJMBRIBNZ-UHFFFAOYSA-N
XLogP6.09
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide (CID 91634594) is 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide is CCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3cccc(C)c3)cn12.
What is the InChIKey of 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide?
The InChIKey is NBEDPLJMBRIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-3-15-28-25(31)14-12-23-26(19-7-10-22(27)11-8-19)29-24-13-9-21(17-30(23)24)20-6-4-5-18(2)16-20/h4-11,13,16-17H,3,12,14-15H2,1-2H3,(H,28,31).
What are the key properties of 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide?
3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide has a molecular weight of 431.97 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpropanamide is sourced from PubChem (CID 91634594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).