6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one

C18H11N3OS — CID 132528672

IUPAC6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n(-c3cccs3)c3ccccc3n12
InChIInChI=1S/C18H11N3OS/c22-17-12-6-1-2-7-13(12)19-18-20(16-10-5-11-23-16)14-8-3-4-9-15(14)21(17)18/h1-11H
InChIKeyFONJETGKEYEVPR-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.85
Rot. Bonds1

About 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one

6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 132528672) has the molecular formula C18H11N3OS and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
PubChem CID132528672
Molecular FormulaC18H11N3OS
Molecular Weight317.37 g/mol
Exact Mass317.06
IUPAC Name6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n(-c3cccs3)c3ccccc3n12
InChIInChI=1S/C18H11N3OS/c22-17-12-6-1-2-7-13(12)19-18-20(16-10-5-11-23-16)14-8-3-4-9-15(14)21(17)18/h1-11H
InChIKeyFONJETGKEYEVPR-UHFFFAOYSA-N
XLogP3.85
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one
CID 70651486
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
3-thiophen-2-ylquinazolin-4-one
CID 14492504
6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
CID 10936974
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)benzimidazolo[2,1-b]quinazolin-12-one
CID 70651487
6-[3-(12-oxo-6H-benzimidazolo[2,1-b]quinazolin-5-ium-5-yl)-5-(12-oxobenzimidazolo[2,3-b]quinazolin-6-yl)phenyl]benzimidazolo[2,1-b]quinazolin-12-one
CID 140815790
3-hydroxy-2-thiophen-2-ylquinazolin-4-one
CID 14172895
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
15,17-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 121248141

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one (CID 132528672) is 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2n(-c3cccs3)c3ccccc3n12.
What is the InChIKey of 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is FONJETGKEYEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3OS/c22-17-12-6-1-2-7-13(12)19-18-20(16-10-5-11-23-16)14-8-3-4-9-15(14)21(17)18/h1-11H.
What are the key properties of 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one?
6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 317.37 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 132528672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).