4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide

C17H13N5O — CID 126669235

IUPAC4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1
InChIInChI=1S/C17H13N5O/c18-17(23)11-1-4-14(5-2-11)22-10-19-15-6-3-12(7-16(15)22)13-8-20-21-9-13/h1-10H,(H2,18,23)(H,20,21)
InChIKeyCHTJOFLLIXHJRY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.51
Rot. Bonds3

About 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide

4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide (PubChem CID 126669235) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide
PubChem CID126669235
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1
InChIInChI=1S/C17H13N5O/c18-17(23)11-1-4-14(5-2-11)22-10-19-15-6-3-12(7-16(15)22)13-8-20-21-9-13/h1-10H,(H2,18,23)(H,20,21)
InChIKeyCHTJOFLLIXHJRY-UHFFFAOYSA-N
XLogP2.51
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
The IUPAC name of 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide (CID 126669235) is 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide.
What is the SMILES notation for 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
The canonical SMILES for 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide is NC(=O)c1ccc(-n2cnc3ccc(-c4cn[nH]c4)cc32)cc1.
What is the InChIKey of 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
The InChIKey is CHTJOFLLIXHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-17(23)11-1-4-14(5-2-11)22-10-19-15-6-3-12(7-16(15)22)13-8-20-21-9-13/h1-10H,(H2,18,23)(H,20,21).
What are the key properties of 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide?
4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzamide is sourced from PubChem (CID 126669235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).