2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide

C17H21N5O — CID 45246652

IUPAC2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide
SMILESCC(C)C(C)n1nccc1NC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C17H21N5O/c1-12(2)13(3)22-16(8-9-19-22)20-17(23)10-21-11-18-14-6-4-5-7-15(14)21/h4-9,11-13H,10H2,1-3H3,(H,20,23)
InChIKeyJPWBNLXVBMDILW-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.09
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide

2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide (PubChem CID 45246652) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide
PubChem CID45246652
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide
SMILESCC(C)C(C)n1nccc1NC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C17H21N5O/c1-12(2)13(3)22-16(8-9-19-22)20-17(23)10-21-11-18-14-6-4-5-7-15(14)21/h4-9,11-13H,10H2,1-3H3,(H,20,23)
InChIKeyJPWBNLXVBMDILW-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide (CID 45246652) is 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide is CC(C)C(C)n1nccc1NC(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is JPWBNLXVBMDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12(2)13(3)22-16(8-9-19-22)20-17(23)10-21-11-18-14-6-4-5-7-15(14)21/h4-9,11-13H,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide?
2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 45246652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).