9-chlorobenzimidazolo[2,1-a]phthalazine

C14H8ClN3 — CID 2992478

IUPAC9-chlorobenzimidazolo[2,1-a]phthalazine
SMILESClc1ccc2nc3c4ccccc4cnn3c2c1
InChIInChI=1S/C14H8ClN3/c15-10-5-6-12-13(7-10)18-14(17-12)11-4-2-1-3-9(11)8-16-18/h1-8H
InChIKeyVSXYBFOEHRWGRA-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.69
Rot. Bonds

About 9-chlorobenzimidazolo[2,1-a]phthalazine

9-chlorobenzimidazolo[2,1-a]phthalazine (PubChem CID 2992478) has the molecular formula C14H8ClN3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 9-chlorobenzimidazolo[2,1-a]phthalazine.

Molecular Properties

Compound Name9-chlorobenzimidazolo[2,1-a]phthalazine
PubChem CID2992478
Molecular FormulaC14H8ClN3
Molecular Weight253.69 g/mol
Exact Mass253.04
IUPAC Name9-chlorobenzimidazolo[2,1-a]phthalazine
SMILESClc1ccc2nc3c4ccccc4cnn3c2c1
InChIInChI=1S/C14H8ClN3/c15-10-5-6-12-13(7-10)18-14(17-12)11-4-2-1-3-9(11)8-16-18/h1-8H
InChIKeyVSXYBFOEHRWGRA-UHFFFAOYSA-N
XLogP3.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chlorobenzimidazolo[2,1-a]phthalazine?
The IUPAC name of 9-chlorobenzimidazolo[2,1-a]phthalazine (CID 2992478) is 9-chlorobenzimidazolo[2,1-a]phthalazine.
What is the SMILES notation for 9-chlorobenzimidazolo[2,1-a]phthalazine?
The canonical SMILES for 9-chlorobenzimidazolo[2,1-a]phthalazine is Clc1ccc2nc3c4ccccc4cnn3c2c1.
What is the InChIKey of 9-chlorobenzimidazolo[2,1-a]phthalazine?
The InChIKey is VSXYBFOEHRWGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3/c15-10-5-6-12-13(7-10)18-14(17-12)11-4-2-1-3-9(11)8-16-18/h1-8H.
What are the key properties of 9-chlorobenzimidazolo[2,1-a]phthalazine?
9-chlorobenzimidazolo[2,1-a]phthalazine has a molecular weight of 253.69 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorobenzimidazolo[2,1-a]phthalazine is sourced from PubChem (CID 2992478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).