2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C25H19N3OS — CID 7173181

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H19N3OS/c29-23(18-13-12-16-6-5-7-17(16)14-18)15-30-25-27-20-9-2-1-8-19(20)24-26-21-10-3-4-11-22(21)28(24)25/h1-4,8-14H,5-7,15H2
InChIKeyHWMHXFBPUYQJCS-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.50
Rot. Bonds4

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 7173181) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID7173181
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H19N3OS/c29-23(18-13-12-16-6-5-7-17(16)14-18)15-30-25-27-20-9-2-1-8-19(20)24-26-21-10-3-4-11-22(21)28(24)25/h1-4,8-14H,5-7,15H2
InChIKeyHWMHXFBPUYQJCS-UHFFFAOYSA-N
XLogP5.50
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone
CID 7159180
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 7954355
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-morpholin-4-ylethanone
CID 3949436
2-phenylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050707
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 18266570
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 41050936
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclohexyl-N-ethylacetamide
CID 7173243
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7895401
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 40585550
3-ethyl-2-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 29390402

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 7173181) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is HWMHXFBPUYQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c29-23(18-13-12-16-6-5-7-17(16)14-18)15-30-25-27-20-9-2-1-8-19(20)24-26-21-10-3-4-11-22(21)28(24)25/h1-4,8-14H,5-7,15H2.
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 409.51 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 7173181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).