4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one

C15H11N3O — CID 21489164

IUPAC4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
SMILESCc1cccc2c(=O)n3c(nc12)[nH]c1ccccc13
InChIInChI=1S/C15H11N3O/c1-9-5-4-6-10-13(9)17-15-16-11-7-2-3-8-12(11)18(15)14(10)19/h2-8H,1H3,(H,16,17)
InChIKeyFDUOUWRGIFYMDP-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.64
Rot. Bonds

About 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one

4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 21489164) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
PubChem CID21489164
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
SMILESCc1cccc2c(=O)n3c(nc12)[nH]c1ccccc13
InChIInChI=1S/C15H11N3O/c1-9-5-4-6-10-13(9)17-15-16-11-7-2-3-8-12(11)18(15)14(10)19/h2-8H,1H3,(H,16,17)
InChIKeyFDUOUWRGIFYMDP-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one (CID 21489164) is 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one is Cc1cccc2c(=O)n3c(nc12)[nH]c1ccccc13.
What is the InChIKey of 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is FDUOUWRGIFYMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-9-5-4-6-10-13(9)17-15-16-11-7-2-3-8-12(11)18(15)14(10)19/h2-8H,1H3,(H,16,17).
What are the key properties of 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one?
4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 249.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 21489164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).