5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole

C12H12N4O2 — CID 66937003

IUPAC5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
SMILESCOc1cc2nc(-n3cccn3)[nH]c2cc1OC
InChIInChI=1S/C12H12N4O2/c1-17-10-6-8-9(7-11(10)18-2)15-12(14-8)16-5-3-4-13-16/h3-7H,1-2H3,(H,14,15)
InChIKeySXEITPOFOSJPCV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.77
Rot. Bonds3

About 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole

5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole (PubChem CID 66937003) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
PubChem CID66937003
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
SMILESCOc1cc2nc(-n3cccn3)[nH]c2cc1OC
InChIInChI=1S/C12H12N4O2/c1-17-10-6-8-9(7-11(10)18-2)15-12(14-8)16-5-3-4-13-16/h3-7H,1-2H3,(H,14,15)
InChIKeySXEITPOFOSJPCV-UHFFFAOYSA-N
XLogP1.77
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole (CID 66937003) is 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole is COc1cc2nc(-n3cccn3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole?
The InChIKey is SXEITPOFOSJPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-17-10-6-8-9(7-11(10)18-2)15-12(14-8)16-5-3-4-13-16/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole?
5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole has a molecular weight of 244.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole is sourced from PubChem (CID 66937003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).