2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide

C22H15ClN4OS — CID 2967063

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cccc(Cl)c1
InChIInChI=1S/C22H15ClN4OS/c23-14-6-5-7-15(12-14)24-20(28)13-29-22-26-17-9-2-1-8-16(17)21-25-18-10-3-4-11-19(18)27(21)22/h1-12H,13H2,(H,24,28)
InChIKeyPISLNLWRVOTGLO-UHFFFAOYSA-N
MW418.91 g/mol
LogP5.42
Rot. Bonds4

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide (PubChem CID 2967063) has the molecular formula C22H15ClN4OS and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
PubChem CID2967063
Molecular FormulaC22H15ClN4OS
Molecular Weight418.91 g/mol
Exact Mass418.07
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cccc(Cl)c1
InChIInChI=1S/C22H15ClN4OS/c23-14-6-5-7-15(12-14)24-20(28)13-29-22-26-17-9-2-1-8-16(17)21-25-18-10-3-4-11-19(18)27(21)22/h1-12H,13H2,(H,24,28)
InChIKeyPISLNLWRVOTGLO-UHFFFAOYSA-N
XLogP5.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.91
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-ethylphenyl)acetamide
CID 5134658
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dichlorophenyl)acetamide
CID 3959698
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 5007961
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
N-(3-chlorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2618941
N-benzyl-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide
CID 4185073
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
CID 4790109
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
CID 126832304
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 18272930
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23931253

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide (CID 2967063) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide is O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide?
The InChIKey is PISLNLWRVOTGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4OS/c23-14-6-5-7-15(12-14)24-20(28)13-29-22-26-17-9-2-1-8-16(17)21-25-18-10-3-4-11-19(18)27(21)22/h1-12H,13H2,(H,24,28).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide has a molecular weight of 418.91 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 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)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 2967063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).