[6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate

C19H13ClN2O2 — CID 139093924

IUPAC[6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate
SMILESCC(=O)Oc1cc(-c2ccc(Cl)cc2)c2nc3ccccn3c2c1
InChIInChI=1S/C19H13ClN2O2/c1-12(23)24-15-10-16(13-5-7-14(20)8-6-13)19-17(11-15)22-9-3-2-4-18(22)21-19/h2-11H,1H3
InChIKeyGIKWHZVKFTZLDB-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.73
Rot. Bonds2

About [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate

[6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate (PubChem CID 139093924) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate.

Molecular Properties

Compound Name[6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate
PubChem CID139093924
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name[6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate
SMILESCC(=O)Oc1cc(-c2ccc(Cl)cc2)c2nc3ccccn3c2c1
InChIInChI=1S/C19H13ClN2O2/c1-12(23)24-15-10-16(13-5-7-14(20)8-6-13)19-17(11-15)22-9-3-2-4-18(22)21-19/h2-11H,1H3
InChIKeyGIKWHZVKFTZLDB-UHFFFAOYSA-N
XLogP4.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate?
The IUPAC name of [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate (CID 139093924) is [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate.
What is the SMILES notation for [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate?
The canonical SMILES for [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate is CC(=O)Oc1cc(-c2ccc(Cl)cc2)c2nc3ccccn3c2c1.
What is the InChIKey of [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate?
The InChIKey is GIKWHZVKFTZLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-12(23)24-15-10-16(13-5-7-14(20)8-6-13)19-17(11-15)22-9-3-2-4-18(22)21-19/h2-11H,1H3.
What are the key properties of [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate?
[6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate has a molecular weight of 336.78 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)pyrido[1,2-a]benzimidazol-8-yl] acetate is sourced from PubChem (CID 139093924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).