2-(1H-pyrazol-5-yl)-1H-benzimidazole

C10H8N4 — CID 763936

IUPAC2-(1H-pyrazol-5-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccn[nH]3)nc2c1
InChIInChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
InChIKeyIYTGPPNUOLLGBE-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.95
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)-1H-benzimidazole

2-(1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 763936) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1H-benzimidazole
PubChem CID763936
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-(1H-pyrazol-5-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccn[nH]3)nc2c1
InChIInChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
InChIKeyIYTGPPNUOLLGBE-UHFFFAOYSA-N
XLogP1.95
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1H-benzimidazole (CID 763936) is 2-(1H-pyrazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1H-benzimidazole is c1ccc2[nH]c(-c3ccn[nH]3)nc2c1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1H-benzimidazole?
The InChIKey is IYTGPPNUOLLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13).
What are the key properties of 2-(1H-pyrazol-5-yl)-1H-benzimidazole?
2-(1H-pyrazol-5-yl)-1H-benzimidazole has a molecular weight of 184.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 763936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).