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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Related Compounds

3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one
CID 118331924
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
CID 156870601
CID 156870601
3-methyl-10H-imidazo[2,1-b]quinazolin-5-one
CID 10703152
8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489217
4-chloro-8-methyl-3H-quinazolin-2-one
CID 84773265
4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 2311321
3,8-dimethyl-2-methylsulfinylquinazolin-4-one
CID 123728999
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
1-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 15076566
1-nitroso-2-phenyl-4H-imidazo[1,2-a]benzimidazole
CID 671760
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352

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).