butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate

C19H18Cl2N2O2 — CID 11793969

IUPACbutyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C19H18Cl2N2O2/c1-2-3-10-25-18(24)11-16-19(13-4-6-14(20)7-5-13)22-17-9-8-15(21)12-23(16)17/h4-9,12H,2-3,10-11H2,1H3
InChIKeyWQTIWWZFPNGXCY-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.19
Rot. Bonds6

About butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate

butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate (PubChem CID 11793969) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate.

Molecular Properties

Compound Namebutyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
PubChem CID11793969
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Namebutyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C19H18Cl2N2O2/c1-2-3-10-25-18(24)11-16-19(13-4-6-14(20)7-5-13)22-17-9-8-15(21)12-23(16)17/h4-9,12H,2-3,10-11H2,1H3
InChIKeyWQTIWWZFPNGXCY-UHFFFAOYSA-N
XLogP5.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The IUPAC name of butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate (CID 11793969) is butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate.
What is the SMILES notation for butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The canonical SMILES for butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate is CCCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The InChIKey is WQTIWWZFPNGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-3-10-25-18(24)11-16-19(13-4-6-14(20)7-5-13)22-17-9-8-15(21)12-23(16)17/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate has a molecular weight of 377.27 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate is sourced from PubChem (CID 11793969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).