2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C20H16N6OS — CID 2967583

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)n[nH]1
InChIInChI=1S/C20H16N6OS/c1-12-10-17(25-24-12)23-18(27)11-28-20-22-14-7-3-2-6-13(14)19-21-15-8-4-5-9-16(15)26(19)20/h2-10H,11H2,1H3,(H2,23,24,25,27)
InChIKeyDVMPSAOLVIMIJD-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.80
Rot. Bonds4

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 2967583) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID2967583
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)n[nH]1
InChIInChI=1S/C20H16N6OS/c1-12-10-17(25-24-12)23-18(27)11-28-20-22-14-7-3-2-6-13(14)19-21-15-8-4-5-9-16(15)26(19)20/h2-10H,11H2,1H3,(H2,23,24,25,27)
InChIKeyDVMPSAOLVIMIJD-UHFFFAOYSA-N
XLogP3.80
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
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-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 2967583) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)n[nH]1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is DVMPSAOLVIMIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-12-10-17(25-24-12)23-18(27)11-28-20-22-14-7-3-2-6-13(14)19-21-15-8-4-5-9-16(15)26(19)20/h2-10H,11H2,1H3,(H2,23,24,25,27).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 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-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 2967583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).