N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C16H19N5O2 — CID 72873747

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCN(CCc1cnn(C)c1)C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H19N5O2/c1-19(8-7-12-9-17-20(2)10-12)15(22)11-21-14-6-4-3-5-13(14)18-16(21)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,23)
InChIKeyFHPDDFGIKDNDES-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.76
Rot. Bonds5

About N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 72873747) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID72873747
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCN(CCc1cnn(C)c1)C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H19N5O2/c1-19(8-7-12-9-17-20(2)10-12)15(22)11-21-14-6-4-3-5-13(14)18-16(21)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,23)
InChIKeyFHPDDFGIKDNDES-UHFFFAOYSA-N
XLogP0.76
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 72873747) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CN(CCc1cnn(C)c1)C(=O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is FHPDDFGIKDNDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-19(8-7-12-9-17-20(2)10-12)15(22)11-21-14-6-4-3-5-13(14)18-16(21)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,23).
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 72873747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).