2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide

C23H17BrN4OS — CID 126832304

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccc(Br)cc1
InChIInChI=1S/C23H17BrN4OS/c24-16-11-9-15(10-12-16)13-25-21(29)14-30-23-27-18-6-2-1-5-17(18)22-26-19-7-3-4-8-20(19)28(22)23/h1-12H,13-14H2,(H,25,29)
InChIKeyCREFFEGIBYJEPK-UHFFFAOYSA-N
MW477.39 g/mol
LogP5.21
Rot. Bonds5

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide (PubChem CID 126832304) has the molecular formula C23H17BrN4OS and a molecular weight of 477.39 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
PubChem CID126832304
Molecular FormulaC23H17BrN4OS
Molecular Weight477.39 g/mol
Exact Mass476.03
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccc(Br)cc1
InChIInChI=1S/C23H17BrN4OS/c24-16-11-9-15(10-12-16)13-25-21(29)14-30-23-27-18-6-2-1-5-17(18)22-26-19-7-3-4-8-20(19)28(22)23/h1-12H,13-14H2,(H,25,29)
InChIKeyCREFFEGIBYJEPK-UHFFFAOYSA-N
XLogP5.21
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 55.21
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-(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-(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-(3-chlorophenyl)acetamide
CID 2967063
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
4-[[[2-[2-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]methyl]benzoic acid
CID 4280142
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-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40575918
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 5007961
N-benzyl-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide
CID 4185073

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide (CID 126832304) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide is O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccc(Br)cc1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide?
The InChIKey is CREFFEGIBYJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4OS/c24-16-11-9-15(10-12-16)13-25-21(29)14-30-23-27-18-6-2-1-5-17(18)22-26-19-7-3-4-8-20(19)28(22)23/h1-12H,13-14H2,(H,25,29).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide has a molecular weight of 477.39 g/mol, XLogP of 5.21, 5 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-[(4-bromophenyl)methyl]acetamide is sourced from PubChem (CID 126832304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).