2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide

C19H20N4O2S — CID 7043764

IUPAC2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCCc1cc(SCC(=O)NCCOC)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C19H20N4O2S/c1-3-13-10-18(26-12-17(24)21-8-9-25-2)23-16-7-5-4-6-15(16)22-19(23)14(13)11-20/h4-7,10H,3,8-9,12H2,1-2H3,(H,21,24)
InChIKeyZNYQDIVAKYCOFI-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide

2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 7043764) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID7043764
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCCc1cc(SCC(=O)NCCOC)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C19H20N4O2S/c1-3-13-10-18(26-12-17(24)21-8-9-25-2)23-16-7-5-4-6-15(16)22-19(23)14(13)11-20/h4-7,10H,3,8-9,12H2,1-2H3,(H,21,24)
InChIKeyZNYQDIVAKYCOFI-UHFFFAOYSA-N
XLogP2.78
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide (CID 7043764) is 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide is CCc1cc(SCC(=O)NCCOC)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is ZNYQDIVAKYCOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-13-10-18(26-12-17(24)21-8-9-25-2)23-16-7-5-4-6-15(16)22-19(23)14(13)11-20/h4-7,10H,3,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 7043764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).