2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C16H16N4O2 — CID 663728

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)n(CC(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C16H16N4O2/c1-19-13-6-2-3-7-14(13)20(16(19)22)11-15(21)18-10-12-5-4-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyBDYIEWZYYBFRKY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.05
Rot. Bonds4

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 663728) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID663728
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)n(CC(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C16H16N4O2/c1-19-13-6-2-3-7-14(13)20(16(19)22)11-15(21)18-10-12-5-4-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyBDYIEWZYYBFRKY-UHFFFAOYSA-N
XLogP1.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 663728) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Cn1c(=O)n(CC(=O)NCc2cccnc2)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BDYIEWZYYBFRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19-13-6-2-3-7-14(13)20(16(19)22)11-15(21)18-10-12-5-4-8-17-9-12/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 663728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).