2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide

C22H20ClN3O2S — CID 3351754

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H20ClN3O2S/c1-14-10-11-26-18(13-14)24-19(17-5-4-12-29-17)20(26)25-21(27)22(2,3)28-16-8-6-15(23)7-9-16/h4-13H,1-3H3,(H,25,27)
InChIKeyVBFSAZIJKOLUQN-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.82
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 3351754) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID3351754
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H20ClN3O2S/c1-14-10-11-26-18(13-14)24-19(17-5-4-12-29-17)20(26)25-21(27)22(2,3)28-16-8-6-15(23)7-9-16/h4-13H,1-3H3,(H,25,27)
InChIKeyVBFSAZIJKOLUQN-UHFFFAOYSA-N
XLogP5.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 3351754) is 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide is Cc1ccn2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(-c3cccs3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is VBFSAZIJKOLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-14-10-11-26-18(13-14)24-19(17-5-4-12-29-17)20(26)25-21(27)22(2,3)28-16-8-6-15(23)7-9-16/h4-13H,1-3H3,(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 425.94 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 3351754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).