2-methyl-8aH-pyrazolo[1,5-a]benzimidazole

C10H9N3 — CID 91725797

IUPAC2-methyl-8aH-pyrazolo[1,5-a]benzimidazole
SMILESCc1cc2n(n1)C1C=CC=CC1=N2
InChIInChI=1S/C10H9N3/c1-7-6-10-11-8-4-2-3-5-9(8)13(10)12-7/h2-6,9H,1H3
InChIKeyDUKACUXXCJESMM-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.94
Rot. Bonds

About 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole

2-methyl-8aH-pyrazolo[1,5-a]benzimidazole (PubChem CID 91725797) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name2-methyl-8aH-pyrazolo[1,5-a]benzimidazole
PubChem CID91725797
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-methyl-8aH-pyrazolo[1,5-a]benzimidazole
SMILESCc1cc2n(n1)C1C=CC=CC1=N2
InChIInChI=1S/C10H9N3/c1-7-6-10-11-8-4-2-3-5-9(8)13(10)12-7/h2-6,9H,1H3
InChIKeyDUKACUXXCJESMM-UHFFFAOYSA-N
XLogP1.94
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole?
The IUPAC name of 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole (CID 91725797) is 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole.
What is the SMILES notation for 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole?
The canonical SMILES for 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole is Cc1cc2n(n1)C1C=CC=CC1=N2.
What is the InChIKey of 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole?
The InChIKey is DUKACUXXCJESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7-6-10-11-8-4-2-3-5-9(8)13(10)12-7/h2-6,9H,1H3.
What are the key properties of 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole?
2-methyl-8aH-pyrazolo[1,5-a]benzimidazole has a molecular weight of 171.20 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8aH-pyrazolo[1,5-a]benzimidazole is sourced from PubChem (CID 91725797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).