N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

C17H13N5O — CID 135566361

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
InChIKeyFPKSFXFWECAIBR-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.21
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 135566361) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
PubChem CID135566361
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
InChIKeyFPKSFXFWECAIBR-UHFFFAOYSA-N
XLogP3.21
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide (CID 135566361) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide is O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is FPKSFXFWECAIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 303.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 135566361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).