2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide

C17H21N5O2 — CID 35447404

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
SMILESCC(C)Cn1nccc1NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H21N5O2/c1-12(2)10-22-15(8-9-18-22)19-16(23)11-21-14-7-5-4-6-13(14)20(3)17(21)24/h4-9,12H,10-11H2,1-3H3,(H,19,23)
InChIKeyRHPIBKBGICYSLA-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.83
Rot. Bonds5

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide (PubChem CID 35447404) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
PubChem CID35447404
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
SMILESCC(C)Cn1nccc1NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H21N5O2/c1-12(2)10-22-15(8-9-18-22)19-16(23)11-21-14-7-5-4-6-13(14)20(3)17(21)24/h4-9,12H,10-11H2,1-3H3,(H,19,23)
InChIKeyRHPIBKBGICYSLA-UHFFFAOYSA-N
XLogP1.83
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.83
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-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide (CID 35447404) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide is CC(C)Cn1nccc1NC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The InChIKey is RHPIBKBGICYSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(2)10-22-15(8-9-18-22)19-16(23)11-21-14-7-5-4-6-13(14)20(3)17(21)24/h4-9,12H,10-11H2,1-3H3,(H,19,23).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.83, 5 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-[2-(2-methylpropyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 35447404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).