N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide

C25H21Cl2N3O3 — CID 46943492

IUPACN-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide
SMILESCCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C=O)Cc1ccccc1
InChIInChI=1S/C25H21Cl2N3O3/c1-2-21-25(29(16-31)14-17-7-4-3-5-8-17)30-12-6-9-23(24(30)28-21)33-15-22(32)19-11-10-18(26)13-20(19)27/h3-13,16H,2,14-15H2,1H3
InChIKeyUHLAXHZMHKYZKI-UHFFFAOYSA-N
MW482.37 g/mol
LogP5.63
Rot. Bonds9

About N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide

N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide (PubChem CID 46943492) has the molecular formula C25H21Cl2N3O3 and a molecular weight of 482.37 g/mol. Its IUPAC name is N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide
PubChem CID46943492
Molecular FormulaC25H21Cl2N3O3
Molecular Weight482.37 g/mol
Exact Mass481.10
IUPAC NameN-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide
SMILESCCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C=O)Cc1ccccc1
InChIInChI=1S/C25H21Cl2N3O3/c1-2-21-25(29(16-31)14-17-7-4-3-5-8-17)30-12-6-9-23(24(30)28-21)33-15-22(32)19-11-10-18(26)13-20(19)27/h3-13,16H,2,14-15H2,1H3
InChIKeyUHLAXHZMHKYZKI-UHFFFAOYSA-N
XLogP5.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide?
The IUPAC name of N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide (CID 46943492) is N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide.
What is the SMILES notation for N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide?
The canonical SMILES for N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide is CCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide?
The InChIKey is UHLAXHZMHKYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3/c1-2-21-25(29(16-31)14-17-7-4-3-5-8-17)30-12-6-9-23(24(30)28-21)33-15-22(32)19-11-10-18(26)13-20(19)27/h3-13,16H,2,14-15H2,1H3.
What are the key properties of N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide?
N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide has a molecular weight of 482.37 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide is sourced from PubChem (CID 46943492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).