5-methylbenzimidazolo[2,1-b]quinazolin-12-one

C15H11N3O — CID 13458566

IUPAC5-methylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESCn1c2ccccc2c(=O)n2c3ccccc3nc12
InChIInChI=1S/C15H11N3O/c1-17-12-8-4-2-6-10(12)14(19)18-13-9-5-3-7-11(13)16-15(17)18/h2-9H,1H3
InChIKeyMAXJOGKSRAZZDQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.34
Rot. Bonds

About 5-methylbenzimidazolo[2,1-b]quinazolin-12-one

5-methylbenzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 13458566) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-methylbenzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5-methylbenzimidazolo[2,1-b]quinazolin-12-one
PubChem CID13458566
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name5-methylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESCn1c2ccccc2c(=O)n2c3ccccc3nc12
InChIInChI=1S/C15H11N3O/c1-17-12-8-4-2-6-10(12)14(19)18-13-9-5-3-7-11(13)16-15(17)18/h2-9H,1H3
InChIKeyMAXJOGKSRAZZDQ-UHFFFAOYSA-N
XLogP2.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylbenzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 5-methylbenzimidazolo[2,1-b]quinazolin-12-one (CID 13458566) is 5-methylbenzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5-methylbenzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 5-methylbenzimidazolo[2,1-b]quinazolin-12-one is Cn1c2ccccc2c(=O)n2c3ccccc3nc12.
What is the InChIKey of 5-methylbenzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is MAXJOGKSRAZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-17-12-8-4-2-6-10(12)14(19)18-13-9-5-3-7-11(13)16-15(17)18/h2-9H,1H3.
What are the key properties of 5-methylbenzimidazolo[2,1-b]quinazolin-12-one?
5-methylbenzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 249.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 13458566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).