2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole

C11H10N4 — CID 8002817

IUPAC2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCc1[nH]ncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C11H10N4/c1-7-8(6-12-15-7)11-13-9-4-2-3-5-10(9)14-11/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyYJYIVTMOQGXRIA-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.26
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole

2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 8002817) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID8002817
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCc1[nH]ncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C11H10N4/c1-7-8(6-12-15-7)11-13-9-4-2-3-5-10(9)14-11/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyYJYIVTMOQGXRIA-UHFFFAOYSA-N
XLogP2.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole (CID 8002817) is 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole is Cc1[nH]ncc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is YJYIVTMOQGXRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-7-8(6-12-15-7)11-13-9-4-2-3-5-10(9)14-11/h2-6H,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 198.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 8002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).