6-methylbenzimidazolo[1,2-a]quinazolin-5-one

C15H11N3O — CID 59232444

IUPAC6-methylbenzimidazolo[1,2-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C15H11N3O/c1-17-14(19)10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)16-15(17)18/h2-9H,1H3
InChIKeyGXYLJANNOPPRPA-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.34
Rot. Bonds

About 6-methylbenzimidazolo[1,2-a]quinazolin-5-one

6-methylbenzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 59232444) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-methylbenzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name6-methylbenzimidazolo[1,2-a]quinazolin-5-one
PubChem CID59232444
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name6-methylbenzimidazolo[1,2-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C15H11N3O/c1-17-14(19)10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)16-15(17)18/h2-9H,1H3
InChIKeyGXYLJANNOPPRPA-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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Related Compounds

5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
9,23-dimethyl-9,14,21,23-tetrazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082186
3,23-dimethyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 155082006
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
CID 102452373
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
4-methyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 7064071
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
23-methyl-9-thia-14,21,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082026
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 154711899

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 6-methylbenzimidazolo[1,2-a]quinazolin-5-one (CID 59232444) is 6-methylbenzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 6-methylbenzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 6-methylbenzimidazolo[1,2-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2c3ccccc3nc12.
What is the InChIKey of 6-methylbenzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is GXYLJANNOPPRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-17-14(19)10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)16-15(17)18/h2-9H,1H3.
What are the key properties of 6-methylbenzimidazolo[1,2-a]quinazolin-5-one?
6-methylbenzimidazolo[1,2-a]quinazolin-5-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 6-methylbenzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 59232444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).