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

C23H18N4O2S — CID 3637292

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1
InChIInChI=1S/C23H18N4O2S/c1-29-16-8-6-7-15(13-16)24-21(28)14-30-23-26-18-10-3-2-9-17(18)22-25-19-11-4-5-12-20(19)27(22)23/h2-13H,14H2,1H3,(H,24,28)
InChIKeyYZWBSZSEHJWMLL-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.78
Rot. Bonds5

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

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide (PubChem CID 3637292) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
PubChem CID3637292
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1
InChIInChI=1S/C23H18N4O2S/c1-29-16-8-6-7-15(13-16)24-21(28)14-30-23-26-18-10-3-2-9-17(18)22-25-19-11-4-5-12-20(19)27(22)23/h2-13H,14H2,1H3,(H,24,28)
InChIKeyYZWBSZSEHJWMLL-UHFFFAOYSA-N
XLogP4.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide (CID 3637292) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is YZWBSZSEHJWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-29-16-8-6-7-15(13-16)24-21(28)14-30-23-26-18-10-3-2-9-17(18)22-25-19-11-4-5-12-20(19)27(22)23/h2-13H,14H2,1H3,(H,24,28).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3637292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).