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

C21H22N4OS — CID 4790109

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C21H22N4OS/c1-14(2)11-12-22-19(26)13-27-21-24-16-8-4-3-7-15(16)20-23-17-9-5-6-10-18(17)25(20)21/h3-10,14H,11-13H2,1-2H3,(H,22,26)
InChIKeyZUDXLACIQOOXFE-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.29
Rot. Bonds6

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

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide (PubChem CID 4790109) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
PubChem CID4790109
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C21H22N4OS/c1-14(2)11-12-22-19(26)13-27-21-24-16-8-4-3-7-15(16)20-23-17-9-5-6-10-18(17)25(20)21/h3-10,14H,11-13H2,1-2H3,(H,22,26)
InChIKeyZUDXLACIQOOXFE-UHFFFAOYSA-N
XLogP4.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 18272930
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
CID 126832304
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7043316
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dichlorophenyl)acetamide
CID 3959698
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-ethylphenyl)acetamide
CID 5134658
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-methylpropyl)propanamide
CID 55420439
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
CID 2967063
N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713138
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 8665776
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 5007961

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide (CID 4790109) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide?
The InChIKey is ZUDXLACIQOOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-14(2)11-12-22-19(26)13-27-21-24-16-8-4-3-7-15(16)20-23-17-9-5-6-10-18(17)25(20)21/h3-10,14H,11-13H2,1-2H3,(H,22,26).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.29, 6 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-methylbutyl)acetamide is sourced from PubChem (CID 4790109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).