2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide

C14H15N5O2 — CID 18141689

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)n1
InChIInChI=1S/C14H15N5O2/c1-17-8-7-12(16-17)15-13(20)9-19-11-6-4-3-5-10(11)18(2)14(19)21/h3-8H,9H2,1-2H3,(H,15,16,20)
InChIKeyGMCSYUIVGDFYPA-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.71
Rot. Bonds3

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

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 18141689) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID18141689
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)n1
InChIInChI=1S/C14H15N5O2/c1-17-8-7-12(16-17)15-13(20)9-19-11-6-4-3-5-10(11)18(2)14(19)21/h3-8H,9H2,1-2H3,(H,15,16,20)
InChIKeyGMCSYUIVGDFYPA-UHFFFAOYSA-N
XLogP0.71
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide (CID 18141689) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)n1.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GMCSYUIVGDFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-17-8-7-12(16-17)15-13(20)9-19-11-6-4-3-5-10(11)18(2)14(19)21/h3-8H,9H2,1-2H3,(H,15,16,20).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 285.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18141689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).