2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide

C18H17N7O — CID 122162734

IUPAC2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide
SMILESCn1cc(-c2nccnc2CNC(=O)Cn2cnc3ccccc32)cn1
InChIInChI=1S/C18H17N7O/c1-24-10-13(8-23-24)18-15(19-6-7-20-18)9-21-17(26)11-25-12-22-14-4-2-3-5-16(14)25/h2-8,10,12H,9,11H2,1H3,(H,21,26)
InChIKeyUSVAWQOOBHMAOP-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.54
Rot. Bonds5

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

2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide (PubChem CID 122162734) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide
PubChem CID122162734
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide
SMILESCn1cc(-c2nccnc2CNC(=O)Cn2cnc3ccccc32)cn1
InChIInChI=1S/C18H17N7O/c1-24-10-13(8-23-24)18-15(19-6-7-20-18)9-21-17(26)11-25-12-22-14-4-2-3-5-16(14)25/h2-8,10,12H,9,11H2,1H3,(H,21,26)
InChIKeyUSVAWQOOBHMAOP-UHFFFAOYSA-N
XLogP1.54
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide (CID 122162734) is 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide is Cn1cc(-c2nccnc2CNC(=O)Cn2cnc3ccccc32)cn1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide?
The InChIKey is USVAWQOOBHMAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-24-10-13(8-23-24)18-15(19-6-7-20-18)9-21-17(26)11-25-12-22-14-4-2-3-5-16(14)25/h2-8,10,12H,9,11H2,1H3,(H,21,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide?
2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 122162734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).