3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one

C15H11N3O — CID 146412286

IUPAC3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one
SMILESCc1ccc2c(c1)[nH]c(=O)n1c3ccccc3nc21
InChIInChI=1S/C15H11N3O/c1-9-6-7-10-12(8-9)17-15(19)18-13-5-3-2-4-11(13)16-14(10)18/h2-8H,1H3,(H,17,19)
InChIKeyDFVVNGFSSPBDPJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.64
Rot. Bonds

About 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one

3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one (PubChem CID 146412286) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one
PubChem CID146412286
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one
SMILESCc1ccc2c(c1)[nH]c(=O)n1c3ccccc3nc21
InChIInChI=1S/C15H11N3O/c1-9-6-7-10-12(8-9)17-15(19)18-13-5-3-2-4-11(13)16-14(10)18/h2-8H,1H3,(H,17,19)
InChIKeyDFVVNGFSSPBDPJ-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

6-oxo-5H-benzimidazolo[1,2-c]quinazoline-3-sulfonic acid
CID 123979523
acetic acid;5H-benzimidazolo[1,2-c]quinazolin-6-one;ethane
CID 136503539
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
5-methyl-9,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 70884397
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
2-methyl-6-(2,4,6-trimethylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652117
3-(2-bromophenyl)-6-methyl-1H-benzimidazol-2-one
CID 117207608
18,21,36,40-tetrakis(4-methylphenoxy)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2(40),3,5(39),6,8,10,12,16,18,20,22,24,26,28,30,34,37-octadecaene-15,33-dione
CID 59194252
acetamide;acetic acid;hexakis(5H-benzimidazolo[1,2-c]quinazolin-6-one);ethane;methanesulfonamide;methanesulfonic acid;tris(O-methylsulfanyloxyhydroxylamine);bis(trioxidanylsulfanylmethane)
CID 162076593
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one?
The IUPAC name of 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one (CID 146412286) is 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one is Cc1ccc2c(c1)[nH]c(=O)n1c3ccccc3nc21.
What is the InChIKey of 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one?
The InChIKey is DFVVNGFSSPBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-9-6-7-10-12(8-9)17-15(19)18-13-5-3-2-4-11(13)16-14(10)18/h2-8H,1H3,(H,17,19).
What are the key properties of 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one?
3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-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 3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 146412286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).