5-methylbenzimidazolo[2,1-a]phthalazine

C15H11N3 — CID 650521

IUPAC5-methylbenzimidazolo[2,1-a]phthalazine
SMILESCc1nn2c3ccccc3nc2c2ccccc12
InChIInChI=1S/C15H11N3/c1-10-11-6-2-3-7-12(11)15-16-13-8-4-5-9-14(13)18(15)17-10/h2-9H,1H3
InChIKeyAUJZOGHAURBEIC-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.34
Rot. Bonds

About 5-methylbenzimidazolo[2,1-a]phthalazine

5-methylbenzimidazolo[2,1-a]phthalazine (PubChem CID 650521) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methylbenzimidazolo[2,1-a]phthalazine.

Molecular Properties

Compound Name5-methylbenzimidazolo[2,1-a]phthalazine
PubChem CID650521
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name5-methylbenzimidazolo[2,1-a]phthalazine
SMILESCc1nn2c3ccccc3nc2c2ccccc12
InChIInChI=1S/C15H11N3/c1-10-11-6-2-3-7-12(11)15-16-13-8-4-5-9-14(13)18(15)17-10/h2-9H,1H3
InChIKeyAUJZOGHAURBEIC-UHFFFAOYSA-N
XLogP3.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methylbenzimidazolo[2,1-a]phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzimidazolo[2,1-a]phthalazine?
The IUPAC name of 5-methylbenzimidazolo[2,1-a]phthalazine (CID 650521) is 5-methylbenzimidazolo[2,1-a]phthalazine.
What is the SMILES notation for 5-methylbenzimidazolo[2,1-a]phthalazine?
The canonical SMILES for 5-methylbenzimidazolo[2,1-a]phthalazine is Cc1nn2c3ccccc3nc2c2ccccc12.
What is the InChIKey of 5-methylbenzimidazolo[2,1-a]phthalazine?
The InChIKey is AUJZOGHAURBEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-10-11-6-2-3-7-12(11)15-16-13-8-4-5-9-14(13)18(15)17-10/h2-9H,1H3.
What are the key properties of 5-methylbenzimidazolo[2,1-a]phthalazine?
5-methylbenzimidazolo[2,1-a]phthalazine has a molecular weight of 233.27 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzimidazolo[2,1-a]phthalazine is sourced from PubChem (CID 650521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).